CID 78878

Methyl 2-amino-5-chlorobenzoate

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey
IGHVUURTQGBABT-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

734
Patents

185.02435 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.5
[M+Na]+ 208.01357 147.5
[M+NH4]+ 203.05817 143.0
[M+K]+ 223.98751 141.6
[M-H]- 184.01707 136.7
[M+Na-2H]- 205.99902 141.1
[M]+ 185.02380 137.2
[M]- 185.02490 137.2
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