CID 122951

4-(bromomethyl)benzophenone

Structural Information

Molecular Formula
C14H11BrO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
RYULULVJWLRDQH-UHFFFAOYSA-N
Compound name
[4-(bromomethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1126
Patents

273.99933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.006606 153.6
[M+Na]+ 296.988548 164.0
[M-H]- 272.992054 162.6
[M+NH4]+ 292.033153 173.2
[M+K]+ 312.962488 152.4
[M+H-H2O]+ 256.996590 153.1
[M+HCOO]- 318.997531 174.9
[M+CH3COO]- 333.013181 194.9
[M+Na-2H]- 294.973996 160.5
[M]+ 273.99878142 171.8
[M]- 273.99987858 171.8
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