CID 3645780

Alpha-amino-2-chloro-5-hydroxybenzeneacetic acid

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
C1=CC(=C(C=C1O)C(C(=O)O)N)Cl
InChI
InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKey
UNIDAFCQFPGYJJ-UHFFFAOYSA-N
Compound name
2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

105
References

251
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

literature stripe

Patent stripe

patents stripe