CID 79081038

1-[(2-bromophenyl)methyl]cyclobutan-1-ol

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC(C1)(CC2=CC=CC=C2Br)O
InChI
InChI=1S/C11H13BrO/c12-10-5-2-1-4-9(10)8-11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2
InChIKey
RMFDNCLCAHLZSJ-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 137.5
[M+Na]+ 263.004198 147.2
[M-H]- 239.007704 145.5
[M+NH4]+ 258.048803 154.0
[M+K]+ 278.978138 139.0
[M+H-H2O]+ 223.012240 134.2
[M+HCOO]- 285.013181 156.5
[M+CH3COO]- 299.028831 189.1
[M+Na-2H]- 260.989646 145.7
[M]+ 240.01443142 162.1
[M]- 240.01552858 162.1
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.