CID 608984

5-(chlorosulfonyl)-2-fluorobenzoic acid

Structural Information

Molecular Formula

C₇H₄ClFO₄S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)F

InChI

InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

CISMZCVQNVNWJW-UHFFFAOYSA-N

Compound name

5-chlorosulfonyl-2-fluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 237.95029 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.95757	144.2
[M+Na]+	260.93951	155.2
[M+NH4]+	255.98411	150.5
[M+K]+	276.91345	149.4
[M-H]-	236.94301	142.1
[M+Na-2H]-	258.92496	148.1
[M]+	237.94974	145.6
[M]-	237.95084	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe