CID 2773689

261762-93-0

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
CC1=C(C(=C(C=C1)Cl)CC(=O)O)F
InChI
InChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
WVPCYTGXJQYSCV-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.01968 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.026956 135.4
[M+Na]+ 225.008898 146.1
[M-H]- 201.012404 137.3
[M+NH4]+ 220.053503 155.5
[M+K]+ 240.982838 141.8
[M+H-H2O]+ 185.016940 130.7
[M+HCOO]- 247.017881 152.6
[M+CH3COO]- 261.033531 182.7
[M+Na-2H]- 222.994346 139.0
[M]+ 202.01913142 137.1
[M]- 202.02022858 137.1
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