CID 2734063

2-bromo-1-(4-methylphenyl)propan-1-one

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)Br
InChI
InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3
InChIKey
OZLUPIIIHOOPNQ-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

225.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 141.5
[M+Na]+ 248.988548 152.4
[M-H]- 224.992054 147.9
[M+NH4]+ 244.033153 163.4
[M+K]+ 264.962488 142.0
[M+H-H2O]+ 208.996590 141.9
[M+HCOO]- 270.997531 161.7
[M+CH3COO]- 285.013181 188.5
[M+Na-2H]- 246.973996 147.1
[M]+ 225.99878142 160.2
[M]- 225.99987858 160.2
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