CID 59496812

3-bromo-5-hydroxybenzyl alcohol

Structural Information

Molecular Formula
C7H7BrO2
SMILES
C1=C(C=C(C=C1O)Br)CO
InChI
InChI=1S/C7H7BrO2/c8-6-1-5(4-9)2-7(10)3-6/h1-3,9-10H,4H2
InChIKey
UUQASJNBXHBOSN-UHFFFAOYSA-N
Compound name
3-bromo-5-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

201.96294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97022 133.2
[M+Na]+ 224.95216 136.8
[M+NH4]+ 219.99676 138.1
[M+K]+ 240.92610 137.2
[M-H]- 200.95566 133.3
[M+Na-2H]- 222.93761 136.6
[M]+ 201.96239 132.5
[M]- 201.96349 132.5
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

patents stripe