CID 165950541

2-(2-chloro-5-fluoro-4-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H8ClFO3
SMILES
COC1=C(C=C(C(=C1)Cl)CC(=O)O)F
InChI
InChI=1S/C9H8ClFO3/c1-14-8-4-6(10)5(2-7(8)11)3-9(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKey
WDQJSWUEWADPGM-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-fluoro-4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0146 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.021876 138.2
[M+Na]+ 241.003818 148.8
[M-H]- 217.007324 140.1
[M+NH4]+ 236.048423 157.6
[M+K]+ 256.977758 145.1
[M+H-H2O]+ 201.011860 133.3
[M+HCOO]- 263.012801 155.7
[M+CH3COO]- 277.028451 184.8
[M+Na-2H]- 238.989266 141.9
[M]+ 218.01405142 141.4
[M]- 218.01514858 141.4
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

No patent data available for this compound.