CID 74953520

848352-66-9

Structural Information

Molecular Formula
C22H10F17NO3S
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=NOS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H10F17NO3S/c23-15(24)17(27,28)18(29,30)16(25,26)14(10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13)40-43-44(41,42)22(38,39)20(33,34)19(31,32)21(35,36)37/h1-6,8,15H,7H2
InChIKey
PMYQUTMCFSBEMT-UHFFFAOYSA-N
Compound name
[[1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5-octafluoropentylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

559
Patents

691.011 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.01828 240.1
[M+Na]+ 714.00022 248.3
[M-H]- 690.00372 227.9
[M+NH4]+ 709.04482 242.8
[M+K]+ 729.97416 243.0
[M+H-H2O]+ 674.00826 223.3
[M+HCOO]- 736.00920 229.1
[M+CH3COO]- 750.02485 266.1
[M+Na-2H]- 711.98567 243.1
[M]+ 691.01045 221.8
[M]- 691.01155 221.8
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

patents stripe