CID 1515287

Ethyl 2-amino-5-chlorobenzoate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CCOC(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChIKey
XWWBMLMEVRIPSX-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

199.04001 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 139.6
[M+Na]+ 222.029228 148.9
[M-H]- 198.032734 143.3
[M+NH4]+ 217.073833 159.7
[M+K]+ 238.003168 145.5
[M+H-H2O]+ 182.037270 134.9
[M+HCOO]- 244.038211 159.7
[M+CH3COO]- 258.053861 185.0
[M+Na-2H]- 220.014676 143.9
[M]+ 199.03946142 142.0
[M]- 199.04055858 142.0
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