CID 3022511

93819-97-7

Structural Information

Molecular Formula
C20H14F19NO5S
SMILES
C1=CC(=CC=C1OC(=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)S(=O)(=O)N(CCO)CCO
InChI
InChI=1S/C20H14F19NO5S/c21-14(22,23)11(13(18(31,32)33,16(27,28)19(34,35)36)17(29,30)20(37,38)39)12(15(24,25)26)45-9-1-3-10(4-2-9)46(43,44)40(5-7-41)6-8-42/h1-4,41-42H,5-8H2
InChIKey
HAONZHJETGCXMD-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-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]oxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

741.02893 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.03621 207.2
[M+Na]+ 764.01815 212.2
[M-H]- 740.02165 219.1
[M+NH4]+ 759.06275 220.3
[M+K]+ 779.99209 221.7
[M+H-H2O]+ 724.02619 196.1
[M+HCOO]- 786.02713 221.0
[M+CH3COO]- 800.04278 266.0
[M+Na-2H]- 762.00360 203.6
[M]+ 741.02838 204.6
[M]- 741.02948 204.6
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.