CID 13897357

Methyl 2-(bromomethyl)-5-chloro-4-methoxybenzoate

Structural Information

Molecular Formula
C10H10BrClO3
SMILES
COC1=C(C=C(C(=C1)CBr)C(=O)OC)Cl
InChI
InChI=1S/C10H10BrClO3/c1-14-9-3-6(5-11)7(4-8(9)12)10(13)15-2/h3-4H,5H2,1-2H3
InChIKey
HESYIEDDICFDIU-UHFFFAOYSA-N
Compound name
methyl 2-(bromomethyl)-5-chloro-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

291.95016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95744 149.4
[M+Na]+ 314.93938 163.1
[M-H]- 290.94288 156.4
[M+NH4]+ 309.98398 170.3
[M+K]+ 330.91332 151.3
[M+H-H2O]+ 274.94742 150.4
[M+HCOO]- 336.94836 166.7
[M+CH3COO]- 350.96401 196.5
[M+Na-2H]- 312.92483 154.8
[M]+ 291.94961 173.9
[M]- 291.95071 173.9
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