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]+ 241.02226 137.5
[M+Na]+ 263.00420 147.2
[M-H]- 239.00770 145.5
[M+NH4]+ 258.04880 154.0
[M+K]+ 278.97814 139.0
[M+H-H2O]+ 223.01224 134.2
[M+HCOO]- 285.01318 156.5
[M+CH3COO]- 299.02883 189.1
[M+Na-2H]- 260.98965 145.7
[M]+ 240.01443 162.1
[M]- 240.01553 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.