CID 2773727

2-amino-2-(3-chloro-4-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C8H7ClFNO2
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)Cl)F
InChI
InChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
DVSWHHQDQJPPBH-UHFFFAOYSA-N
Compound name
2-amino-2-(3-chloro-4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

203.01494 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02222 137.2
[M+Na]+ 226.00416 146.1
[M-H]- 202.00766 138.3
[M+NH4]+ 221.04876 156.1
[M+K]+ 241.97810 142.1
[M+H-H2O]+ 186.01220 132.1
[M+HCOO]- 248.01314 154.1
[M+CH3COO]- 262.02879 183.7
[M+Na-2H]- 223.98961 139.8
[M]+ 203.01439 135.7
[M]- 203.01549 135.7
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