CID 68495520

2-(4-bromo-2-(hydroxymethyl)phenyl)propan-2-ol

Structural Information

Molecular Formula
C10H13BrO2
SMILES
CC(C)(C1=C(C=C(C=C1)Br)CO)O
InChI
InChI=1S/C10H13BrO2/c1-10(2,13)9-4-3-8(11)5-7(9)6-12/h3-5,12-13H,6H2,1-2H3
InChIKey
IRBLVWPWZRZNIR-UHFFFAOYSA-N
Compound name
2-[4-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

244.00989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01717 147.4
[M+Na]+ 266.99911 158.6
[M-H]- 243.00261 151.5
[M+NH4]+ 262.04371 167.6
[M+K]+ 282.97305 147.0
[M+H-H2O]+ 227.00715 148.3
[M+HCOO]- 289.00809 165.0
[M+CH3COO]- 303.02374 186.1
[M+Na-2H]- 264.98456 154.1
[M]+ 244.00934 165.5
[M]- 244.01044 165.5
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