CID 3736525

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

No literature data available for this compound.

Patent stripe

patents stripe