CID 80144949

2-(2,5-difluoro-4-methylphenyl)acetic acid

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

CC1=CC(=C(C=C1F)CC(=O)O)F

InChI

InChI=1S/C9H8F2O2/c1-5-2-8(11)6(3-7(5)10)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)

InChIKey

LRFVKQDMWWDUPG-UHFFFAOYSA-N

Compound name

2-(2,5-difluoro-4-methylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.04924 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]+	187.05652	139.6
[M+Na]+	209.03846	150.6
[M+NH4]+	204.08306	146.0
[M+K]+	225.01240	145.3
[M-H]-	185.04196	138.0
[M+Na-2H]-	207.02391	143.8
[M]+	186.04869	140.4
[M]-	186.04979	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe