CID 737627

Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate

Structural Information

Molecular Formula
C14H11BrO2
SMILES
COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKey
JHNMJLKCONRGMK-UHFFFAOYSA-N
Compound name
methyl 4-(4-bromophenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

289.99423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00151 156.1
[M+Na]+ 312.98345 167.3
[M-H]- 288.98695 165.6
[M+NH4]+ 308.02805 175.4
[M+K]+ 328.95739 156.3
[M+H-H2O]+ 272.99149 155.4
[M+HCOO]- 334.99243 177.6
[M+CH3COO]- 349.00808 197.2
[M+Na-2H]- 310.96890 162.4
[M]+ 289.99368 176.0
[M]- 289.99478 176.0
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