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]+ 255.03790 143.6
[M+Na]+ 277.01984 151.6
[M-H]- 253.02334 150.9
[M+NH4]+ 272.06444 157.5
[M+K]+ 292.99378 143.6
[M+H-H2O]+ 237.02788 138.8
[M+HCOO]- 299.02882 161.1
[M+CH3COO]- 313.04447 192.9
[M+Na-2H]- 275.00529 149.0
[M]+ 254.03007 167.4
[M]- 254.03117 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.