CID 54139777

1-bromo-4-(2,2-dimethylcyclobutyl)benzene

Structural Information

Molecular Formula
C12H15Br
SMILES
CC1(CCC1C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C12H15Br/c1-12(2)8-7-11(12)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKey
OAGXPUVMNXAEAB-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-dimethylcyclobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.0357 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04298 137.1
[M+Na]+ 261.02492 147.9
[M-H]- 237.02842 146.7
[M+NH4]+ 256.06952 154.9
[M+K]+ 276.99886 139.9
[M+H-H2O]+ 221.03296 134.1
[M+HCOO]- 283.03390 157.1
[M+CH3COO]- 297.04955 193.4
[M+Na-2H]- 259.01037 144.8
[M]+ 238.03515 162.8
[M]- 238.03625 162.8
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