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]+ 225.027346 133.0
[M+Na]+ 247.009288 143.4
[M-H]- 223.012794 142.4
[M+NH4]+ 242.053893 151.0
[M+K]+ 262.983228 135.6
[M+H-H2O]+ 207.017330 130.0
[M+HCOO]- 269.018271 153.3
[M+CH3COO]- 283.033921 189.7
[M+Na-2H]- 244.994736 141.9
[M]+ 224.01952142 158.0
[M]- 224.02061858 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