CID 283867

4-formylbenzenesulfonyl 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

35
Patents

187.99434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00162 137.0
[M+Na]+ 210.98356 148.3
[M+NH4]+ 206.02816 144.1
[M+K]+ 226.95750 141.4
[M-H]- 186.98706 136.1
[M+Na-2H]- 208.96901 142.3
[M]+ 187.99379 138.7
[M]- 187.99489 138.7
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