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

39
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 131.7
[M+Na]+ 210.98356 142.1
[M-H]- 186.98706 135.0
[M+NH4]+ 206.02816 152.1
[M+K]+ 226.95750 139.3
[M+H-H2O]+ 170.99160 125.8
[M+HCOO]- 232.99254 150.3
[M+CH3COO]- 247.00819 176.8
[M+Na-2H]- 208.96901 137.1
[M]+ 187.99379 134.1
[M]- 187.99489 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