CID 116491344

2-(2-bromophenyl)-2-cyclobutylethan-1-ol

Structural Information

Molecular Formula
C12H15BrO
SMILES
C1CC(C1)C(CO)C2=CC=CC=C2Br
InChI
InChI=1S/C12H15BrO/c13-12-7-2-1-6-10(12)11(8-14)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8H2
InChIKey
ZPSVJWVKMSMYCM-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-cyclobutylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.037896 143.6
[M+Na]+ 277.019838 151.6
[M-H]- 253.023344 150.9
[M+NH4]+ 272.064443 157.5
[M+K]+ 292.993778 143.6
[M+H-H2O]+ 237.027880 138.8
[M+HCOO]- 299.028821 161.1
[M+CH3COO]- 313.044471 192.9
[M+Na-2H]- 275.005286 149.0
[M]+ 254.03007142 167.4
[M]- 254.03116858 167.4
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

No patent data available for this compound.