CID 1515284

Methyl 4-amino-3-chlorobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

185.02435 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe