CID 24724126

898790-60-8

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1CC(C1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2
InChIKey
AZSFMTLMLOZVLG-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-cyclobutylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

237.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 135.9
[M+Na]+ 260.988548 145.0
[M-H]- 236.992054 144.7
[M+NH4]+ 256.033153 151.0
[M+K]+ 276.962488 137.6
[M+H-H2O]+ 220.996590 131.3
[M+HCOO]- 282.997531 155.4
[M+CH3COO]- 297.013181 191.8
[M+Na-2H]- 258.973996 142.5
[M]+ 237.99878142 160.5
[M]- 237.99987858 160.5
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

patents stripe