CID 59496812

3-bromo-5-(hydroxymethyl)phenol

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

36
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 132.6
[M+Na]+ 224.95216 144.6
[M-H]- 200.95566 136.9
[M+NH4]+ 219.99676 154.3
[M+K]+ 240.92610 133.3
[M+H-H2O]+ 184.96020 133.5
[M+HCOO]- 246.96114 152.6
[M+CH3COO]- 260.97679 177.3
[M+Na-2H]- 222.93761 140.3
[M]+ 201.96239 150.1
[M]- 201.96349 150.1
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

patents stripe