CID 68969349

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

Structural Information

Molecular Formula
C10H10Br2O3
SMILES
COC1=C(C=C(C(=C1)CBr)Br)C(=O)OC
InChI
InChI=1S/C10H10Br2O3/c1-14-9-3-6(5-11)8(12)4-7(9)10(13)15-2/h3-4H,5H2,1-2H3
InChIKey
DYTNTMQRUUZCGS-UHFFFAOYSA-N
Compound name
methyl 5-bromo-4-(bromomethyl)-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

335.89966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.90694 146.9
[M+Na]+ 358.88888 158.0
[M-H]- 334.89238 153.8
[M+NH4]+ 353.93348 165.1
[M+K]+ 374.86282 143.4
[M+H-H2O]+ 318.89692 154.4
[M+HCOO]- 380.89786 162.8
[M+CH3COO]- 394.91351 208.9
[M+Na-2H]- 356.87433 152.3
[M]+ 335.89911 183.8
[M]- 335.90021 183.8
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