CID 15190683

Methyl 2,3-bis(bromomethyl)benzoate

Structural Information

Molecular Formula
C10H10Br2O2
SMILES
COC(=O)C1=CC=CC(=C1CBr)CBr
InChI
InChI=1S/C10H10Br2O2/c1-14-10(13)8-4-2-3-7(5-11)9(8)6-12/h2-4H,5-6H2,1H3
InChIKey
AIZKAMIZWQQDNG-UHFFFAOYSA-N
Compound name
methyl 2,3-bis(bromomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

319.90475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.912026 145.9
[M+Na]+ 342.893968 156.6
[M-H]- 318.897474 152.7
[M+NH4]+ 337.938573 164.5
[M+K]+ 358.867908 141.5
[M+H-H2O]+ 302.902010 153.7
[M+HCOO]- 364.902951 161.8
[M+CH3COO]- 378.918601 206.4
[M+Na-2H]- 340.879416 151.8
[M]+ 319.90420142 181.5
[M]- 319.90529858 181.5
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