CID 86767882

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

Structural Information

Molecular Formula
C8H5ClFNO4
SMILES
C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C8H5ClFNO4/c9-5-3-7(11(14)15)4(1-6(5)10)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKey
QSYPRQBMNKAZSN-UHFFFAOYSA-N
Compound name
2-(4-chloro-5-fluoro-2-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98912 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99640 140.5
[M+Na]+ 255.97834 149.9
[M-H]- 231.98184 142.2
[M+NH4]+ 251.02294 158.1
[M+K]+ 271.95228 142.3
[M+H-H2O]+ 215.98638 140.2
[M+HCOO]- 277.98732 159.2
[M+CH3COO]- 292.00297 180.6
[M+Na-2H]- 253.96379 145.5
[M]+ 232.98857 140.8
[M]- 232.98967 140.8
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.