CID 70524078

2-(2-chloro-6-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
CC(C1=C(C=CC=C1Cl)F)C(=O)O
InChI
InChI=1S/C9H8ClFO2/c1-5(9(12)13)8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey
YCJFBNXBSAOMAF-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.01968 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.026956 135.8
[M+Na]+ 225.008898 145.3
[M-H]- 201.012404 137.4
[M+NH4]+ 220.053503 155.5
[M+K]+ 240.982838 141.5
[M+H-H2O]+ 185.016940 131.0
[M+HCOO]- 247.017881 152.1
[M+CH3COO]- 261.033531 182.4
[M+Na-2H]- 222.994346 138.9
[M]+ 202.01913142 136.5
[M]- 202.02022858 136.5
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