CID 429733

Phenyl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C10H5F9O3S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F9O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21)22-6-4-2-1-3-5-6/h1-5H
InChIKey
UXPCZDYRRUONAJ-UHFFFAOYSA-N
Compound name
phenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

375.98157 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98885 168.2
[M+Na]+ 398.97079 177.2
[M-H]- 374.97429 160.7
[M+NH4]+ 394.01539 179.6
[M+K]+ 414.94473 173.3
[M+H-H2O]+ 358.97883 155.4
[M+HCOO]- 420.97977 170.9
[M+CH3COO]- 434.99542 209.8
[M+Na-2H]- 396.95624 172.7
[M]+ 375.98102 158.8
[M]- 375.98212 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe