CID 242829

2-fluoro-5-methylbenzoic acid

Structural Information

Molecular Formula
C8H7FO2
SMILES
CC1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
UREMNBHWTNQTMS-UHFFFAOYSA-N
Compound name
2-fluoro-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

549
Patents

154.04301 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 126.3
[M+Na]+ 177.032228 135.7
[M-H]- 153.035734 128.1
[M+NH4]+ 172.076833 147.1
[M+K]+ 193.006168 133.7
[M+H-H2O]+ 137.040270 120.7
[M+HCOO]- 199.041211 148.4
[M+CH3COO]- 213.056861 174.6
[M+Na-2H]- 175.017676 131.5
[M]+ 154.04246142 125.2
[M]- 154.04355858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe