CID 81416199

3-(4-bromophenyl)-2-ethylcyclobutan-1-ol

Structural Information

Molecular Formula
C12H15BrO
SMILES
CCC1C(CC1O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H15BrO/c1-2-10-11(7-12(10)14)8-3-5-9(13)6-4-8/h3-6,10-12,14H,2,7H2,1H3
InChIKey
RERPROGIWROCNI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-ethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.037896 141.6
[M+Na]+ 277.019838 151.5
[M-H]- 253.023344 149.5
[M+NH4]+ 272.064443 156.2
[M+K]+ 292.993778 143.0
[M+H-H2O]+ 237.027880 137.2
[M+HCOO]- 299.028821 160.0
[M+CH3COO]- 313.044471 194.2
[M+Na-2H]- 275.005286 146.9
[M]+ 254.03007142 166.6
[M]- 254.03116858 166.6
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.