CID 370590

2,3-difluorobenzoic acid

Structural Information

Molecular Formula

C₇H₄F₂O₂

SMILES

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

InChI

InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

InChIKey

JLZVIWSFUPLSOR-UHFFFAOYSA-N

Compound name

2,3-difluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2307
Patents: 158.01793 Da
Monoisotopic Mass: 1.9
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]+	159.02521	130.6
[M+Na]+	181.00715	141.6
[M+NH4]+	176.05175	137.3
[M+K]+	196.98109	136.6
[M-H]-	157.01065	128.9
[M+Na-2H]-	178.99260	135.6
[M]+	158.01738	131.4
[M]-	158.01848	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe