CID 283867

4-formylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H5FO3S
SMILES
C1=CC(=CC=C1C=O)S(=O)(=O)F
InChI
InChI=1S/C7H5FO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
CBSXNTYILQLYSR-UHFFFAOYSA-N
Compound name
4-formylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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

No literature data available for this compound.

Patent stripe

patents stripe