CID 13551344

2-bromo-5-(hydroxymethyl)phenol

Structural Information

Molecular Formula
C7H7BrO2
SMILES
C1=CC(=C(C=C1CO)O)Br
InChI
InChI=1S/C7H7BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4H2
InChIKey
JYYCVESONPFMEW-UHFFFAOYSA-N
Compound name
2-bromo-5-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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

literature stripe

Patent stripe

patents stripe