CID 2756858

4-bromo-4'-tert-butylbenzophenone

Structural Information

Molecular Formula
C17H17BrO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H17BrO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H3
InChIKey
YBWSLOFBLDMJLV-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(4-tert-butylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

316.0463 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05358 167.2
[M+Na]+ 339.03552 177.7
[M-H]- 315.03902 176.4
[M+NH4]+ 334.08012 185.6
[M+K]+ 355.00946 165.8
[M+H-H2O]+ 299.04356 166.6
[M+HCOO]- 361.04450 185.9
[M+CH3COO]- 375.06015 204.0
[M+Na-2H]- 337.02097 172.4
[M]+ 316.04575 186.2
[M]- 316.04685 186.2
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