CID 54224710

3-formylbenzene-1-sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
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

literature stripe

Patent stripe

patents stripe