CID 11030511

Methyl 2-amino-3-chlorobenzoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

185.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.9
[M+Na]+ 208.01357 144.6
[M-H]- 184.01707 138.7
[M+NH4]+ 203.05817 155.5
[M+K]+ 223.98751 141.4
[M+H-H2O]+ 168.02161 130.4
[M+HCOO]- 230.02255 155.3
[M+CH3COO]- 244.03820 181.9
[M+Na-2H]- 205.99902 139.7
[M]+ 185.02380 136.9
[M]- 185.02490 136.9
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