CID 2756961

3-bromo-4'-ethylbenzophenone

Structural Information

Molecular Formula
C15H13BrO
SMILES
CCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H13BrO/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-10H,2H2,1H3
InChIKey
CNSGNFMHURGGPA-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-(4-ethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01498 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02226 157.6
[M+Na]+ 311.00420 168.4
[M-H]- 287.00770 166.8
[M+NH4]+ 306.04880 176.9
[M+K]+ 326.97814 156.6
[M+H-H2O]+ 271.01224 156.9
[M+HCOO]- 333.01318 178.5
[M+CH3COO]- 347.02883 198.7
[M+Na-2H]- 308.98965 163.3
[M]+ 288.01443 176.5
[M]- 288.01553 176.5
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

No patent data available for this compound.