CID 21029250

2-(4-bromophenyl)propane-1,2-diol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC(CO)(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C9H11BrO2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,11-12H,6H2,1H3
InChIKey
QSSPOQOHIKXTNW-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

229.99425 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 143.5
[M+Na]+ 252.98347 154.3
[M-H]- 228.98697 147.4
[M+NH4]+ 248.02807 164.0
[M+K]+ 268.95741 142.9
[M+H-H2O]+ 212.99151 144.4
[M+HCOO]- 274.99245 161.4
[M+CH3COO]- 289.00810 182.2
[M+Na-2H]- 250.96892 151.3
[M]+ 229.99370 160.9
[M]- 229.99480 160.9
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