CID 18001109

Ethyl 2-amino-5-chloro-3-hydroxybenzoate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC(=O)C1=C(C(=CC(=C1)Cl)O)N
InChI
InChI=1S/C9H10ClNO3/c1-2-14-9(13)6-3-5(10)4-7(12)8(6)11/h3-4,12H,2,11H2,1H3
InChIKey
VAMBURGWOHFXGE-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chloro-3-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.03493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 142.3
[M+Na]+ 238.02415 152.0
[M-H]- 214.02765 145.0
[M+NH4]+ 233.06875 161.3
[M+K]+ 253.99809 148.4
[M+H-H2O]+ 198.03219 137.9
[M+HCOO]- 260.03313 161.2
[M+CH3COO]- 274.04878 185.8
[M+Na-2H]- 236.00960 145.5
[M]+ 215.03438 144.7
[M]- 215.03548 144.7
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