CID 11401421

(2s)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
C1=CC(=C(C=C1[C@@H](C(=O)O)N)Cl)O
InChI
InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
InChIKey
FLZDFFKRJPLFGS-ZETCQYMHSA-N
Compound name
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

201.01927 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 138.2
[M+Na]+ 224.008488 146.6
[M-H]- 200.011994 139.3
[M+NH4]+ 219.053093 156.5
[M+K]+ 239.982428 142.8
[M+H-H2O]+ 184.016530 134.1
[M+HCOO]- 246.017471 154.9
[M+CH3COO]- 260.033121 180.8
[M+Na-2H]- 221.993936 140.9
[M]+ 201.01872142 137.4
[M]- 201.01981858 137.4
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

patents stripe