CID 613050

Methyl 2-amino-3,5-dichlorobenzoate

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
COC(=O)C1=C(C(=CC(=C1)Cl)Cl)N
InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
InChIKey
FODZNORQIATQIP-UHFFFAOYSA-N
Compound name
methyl 2-amino-3,5-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

218.98538 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 140.3
[M+Na]+ 241.974598 151.2
[M-H]- 217.978104 143.8
[M+NH4]+ 237.019203 160.2
[M+K]+ 257.948538 146.7
[M+H-H2O]+ 201.982640 136.9
[M+HCOO]- 263.983581 155.7
[M+CH3COO]- 277.999231 187.8
[M+Na-2H]- 239.960046 143.7
[M]+ 218.98483142 143.8
[M]- 218.98592858 143.8
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