CID 88873

2-chloro-5-(fluorosulfonyl)benzoic acid

Structural Information

Molecular Formula

C₇H₄ClFO₄S

SMILES

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

InChI

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

InChIKey

HXVUCIYXBTYQLK-UHFFFAOYSA-N

Compound name

2-chloro-5-fluorosulfonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 237.95029 Da
Monoisotopic Mass: 2.0
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

No literature data available for this compound.

Patent stripe

patents stripe