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

50
Patents

201.01927 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 138.2
[M+Na]+ 224.00849 146.6
[M-H]- 200.01199 139.3
[M+NH4]+ 219.05309 156.5
[M+K]+ 239.98243 142.8
[M+H-H2O]+ 184.01653 134.1
[M+HCOO]- 246.01747 154.9
[M+CH3COO]- 260.03312 180.8
[M+Na-2H]- 221.99394 140.9
[M]+ 201.01872 137.4
[M]- 201.01982 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