CID 103581

52026-59-2

Structural Information

Molecular Formula
C25H26F19NO6SSi
SMILES
CCO[Si](CCCNS(=O)(=O)C1=CC=C(C=C1)OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(OCC)OCC
InChI
InChI=1S/C25H26F19NO6SSi/c1-4-48-53(49-5-2,50-6-3)13-7-12-45-52(46,47)15-10-8-14(9-11-15)51-17(20(29,30)31)16(19(26,27)28)18(23(36,37)38,21(32,33)24(39,40)41)22(34,35)25(42,43)44/h8-11,45H,4-7,12-13H2,1-3H3
InChIKey
APCMQGJPMGNODQ-UHFFFAOYSA-N
Compound name
4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxy-N-(3-triethoxysilylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

857.09467 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.10195 231.1
[M+Na]+ 880.08389 235.0
[M-H]- 856.08739 242.8
[M+NH4]+ 875.12849 246.3
[M+K]+ 896.05783 247.0
[M+H-H2O]+ 840.09193 218.8
[M+HCOO]- 902.09287 246.4
[M+CH3COO]- 916.10852 281.7
[M+Na-2H]- 878.06934 225.4
[M]+ 857.09412 231.3
[M]- 857.09522 231.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.