CID 2774620

2-(5-fluoro-2-methylphenyl)acetic acid

Structural Information

Molecular Formula
C9H9FO2
SMILES
CC1=C(C=C(C=C1)F)CC(=O)O
InChI
InChI=1S/C9H9FO2/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
BPWHUOQJJZVQLO-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.05865 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 131.1
[M+Na]+ 191.047868 140.0
[M-H]- 167.051374 132.7
[M+NH4]+ 186.092473 151.3
[M+K]+ 207.021808 137.7
[M+H-H2O]+ 151.055910 125.2
[M+HCOO]- 213.056851 152.8
[M+CH3COO]- 227.072501 177.7
[M+Na-2H]- 189.033316 135.7
[M]+ 168.05810142 130.3
[M]- 168.05919858 130.3
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