CID 90356

4-bromobutyrophenone

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1=CC=C(C=C1)C(=O)CCCBr
InChI
InChI=1S/C10H11BrO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
AUWYVCBOBIRRGR-UHFFFAOYSA-N
Compound name
4-bromo-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

225.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 142.2
[M+Na]+ 248.988548 152.4
[M-H]- 224.992054 148.1
[M+NH4]+ 244.033153 163.8
[M+K]+ 264.962488 141.6
[M+H-H2O]+ 208.996590 142.3
[M+HCOO]- 270.997531 163.3
[M+CH3COO]- 285.013181 186.7
[M+Na-2H]- 246.973996 149.5
[M]+ 225.99878142 161.1
[M]- 225.99987858 161.1
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.