CID 115034854

1-bromo-3-(cyclobutylmethyl)benzene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CC(C1)CC2=CC(=CC=C2)Br
InChI
InChI=1S/C11H13Br/c12-11-6-2-5-10(8-11)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2
InChIKey
VQYJKQODZUNCLA-UHFFFAOYSA-N
Compound name
1-bromo-3-(cyclobutylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

224.02007 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 132.6
[M+Na]+ 247.00929 142.1
[M-H]- 223.01279 141.4
[M+NH4]+ 242.05389 148.6
[M+K]+ 262.98323 134.3
[M+H-H2O]+ 207.01733 128.4
[M+HCOO]- 269.01827 152.8
[M+CH3COO]- 283.03392 190.1
[M+Na-2H]- 244.99474 140.6
[M]+ 224.01952 157.2
[M]- 224.02062 157.2
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