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]+ 239.042976 137.1
[M+Na]+ 261.024918 147.9
[M-H]- 237.028424 146.7
[M+NH4]+ 256.069523 154.9
[M+K]+ 276.998858 139.9
[M+H-H2O]+ 221.032960 134.1
[M+HCOO]- 283.033901 157.1
[M+CH3COO]- 297.049551 193.4
[M+Na-2H]- 259.010366 144.8
[M]+ 238.03515142 162.8
[M]- 238.03624858 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