CID 2756951

4-bromo-3',5'-dimethyl-4'-methoxybenzophenone

Structural Information

Molecular Formula
C16H15BrO2
SMILES
CC1=CC(=CC(=C1OC)C)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H15BrO2/c1-10-8-13(9-11(2)16(10)19-3)15(18)12-4-6-14(17)7-5-12/h4-9H,1-3H3
InChIKey
BHJZYHVNIYTBNZ-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.02554 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03282 163.7
[M+Na]+ 341.01476 175.6
[M-H]- 317.01826 173.4
[M+NH4]+ 336.05936 182.3
[M+K]+ 356.98870 164.2
[M+H-H2O]+ 301.02280 162.7
[M+HCOO]- 363.02374 184.4
[M+CH3COO]- 377.03939 205.6
[M+Na-2H]- 339.00021 167.6
[M]+ 318.02499 184.9
[M]- 318.02609 184.9
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

No patent data available for this compound.