CID 21954703

35300-35-7

Structural Information

Molecular Formula
C6H5FO3S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)O
InChI
InChI=1S/C6H5FO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
JIFAWAXKXDTUHW-UHFFFAOYSA-N
Compound name
2-fluorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1099
Patents

175.99434 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.001616 128.7
[M+Na]+ 198.983558 138.8
[M-H]- 174.987064 130.7
[M+NH4]+ 194.028163 148.9
[M+K]+ 214.957498 135.9
[M+H-H2O]+ 158.991600 123.2
[M+HCOO]- 220.992541 145.9
[M+CH3COO]- 235.008191 172.1
[M+Na-2H]- 196.969006 134.2
[M]+ 175.99379142 129.5
[M]- 175.99488858 129.5
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