CID 11012181

Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

Structural Information

Molecular Formula
C15H13BrO2
SMILES
COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
InChI
InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
InChIKey
RMXGTMRDXKUUDJ-UHFFFAOYSA-N
Compound name
methyl 2-[4-(bromomethyl)phenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

304.0099 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01718 160.9
[M+Na]+ 326.99912 171.6
[M-H]- 303.00262 170.1
[M+NH4]+ 322.04372 179.6
[M+K]+ 342.97306 160.3
[M+H-H2O]+ 287.00716 159.9
[M+HCOO]- 349.00810 181.9
[M+CH3COO]- 363.02375 200.0
[M+Na-2H]- 324.98457 166.5
[M]+ 304.00935 181.0
[M]- 304.01045 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe