CID 53698204

2-formylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H5FO3S
SMILES
C1=CC=C(C(=C1)C=O)S(=O)(=O)F
InChI
InChI=1S/C7H5FO3S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-5H
InChIKey
XRHQDJCFEQGLDY-UHFFFAOYSA-N
Compound name
2-formylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

187.99434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.001616 131.7
[M+Na]+ 210.983558 142.1
[M-H]- 186.987064 135.0
[M+NH4]+ 206.028163 152.1
[M+K]+ 226.957498 139.3
[M+H-H2O]+ 170.991600 125.8
[M+HCOO]- 232.992541 150.3
[M+CH3COO]- 247.008191 176.8
[M+Na-2H]- 208.969006 137.1
[M]+ 187.99379142 134.1
[M]- 187.99488858 134.1
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