CID 130064462

Methyl 4-bromo-2-chloro-6-methoxybenzoate

Structural Information

Molecular Formula
C9H8BrClO3
SMILES
COC1=C(C(=CC(=C1)Br)Cl)C(=O)OC
InChI
InChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(11)8(7)9(12)14-2/h3-4H,1-2H3
InChIKey
QMIWRMALIBJZQR-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-chloro-6-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.93454 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.94182 144.7
[M+Na]+ 300.92376 158.7
[M-H]- 276.92726 151.8
[M+NH4]+ 295.96836 166.0
[M+K]+ 316.89770 147.2
[M+H-H2O]+ 260.93180 145.9
[M+HCOO]- 322.93274 162.2
[M+CH3COO]- 336.94839 193.7
[M+Na-2H]- 298.90921 150.6
[M]+ 277.93399 168.8
[M]- 277.93509 168.8
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

No patent data available for this compound.