CID 13740150

3-(bromomethyl)phenol

Structural Information

Molecular Formula
C7H7BrO
SMILES
C1=CC(=CC(=C1)O)CBr
InChI
InChI=1S/C7H7BrO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2
InChIKey
JHQONOCFAYZOEQ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

185.96803 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97531 129.3
[M+Na]+ 208.95725 133.5
[M+NH4]+ 204.00185 135.1
[M+K]+ 224.93119 133.1
[M-H]- 184.96075 130.3
[M+Na-2H]- 206.94270 134.0
[M]+ 185.96748 129.0
[M]- 185.96858 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe