CID 123181657

1-bromo-4-(1-methylcyclobutyl)benzene

Structural Information

Molecular Formula
C11H13Br
SMILES
CC1(CCC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13Br/c1-11(7-2-8-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey
LHCUVZLZYNLLSW-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-methylcyclobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.02007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 133.0
[M+Na]+ 247.00929 143.4
[M-H]- 223.01279 142.4
[M+NH4]+ 242.05389 151.0
[M+K]+ 262.98323 135.6
[M+H-H2O]+ 207.01733 130.0
[M+HCOO]- 269.01827 153.3
[M+CH3COO]- 283.03392 189.7
[M+Na-2H]- 244.99474 141.9
[M]+ 224.01952 158.0
[M]- 224.02062 158.0
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