CID 83691967

[1-(bromomethyl)cyclobutyl]benzene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CC(C1)(CBr)C2=CC=CC=C2
InChI
InChI=1S/C11H13Br/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
QWDGNOKOFCUXHL-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclobutyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 133.4
[M+Na]+ 247.00929 143.0
[M-H]- 223.01279 142.4
[M+NH4]+ 242.05389 151.1
[M+K]+ 262.98323 135.2
[M+H-H2O]+ 207.01733 130.2
[M+HCOO]- 269.01827 153.7
[M+CH3COO]- 283.03392 188.8
[M+Na-2H]- 244.99474 142.9
[M]+ 224.01952 158.1
[M]- 224.02062 158.1
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.