CID 113859

2-bromo-2-nitro-1-phenylethanol

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1=CC=C(C=C1)C(C([N+](=O)[O-])Br)O
InChI
InChI=1S/C8H8BrNO3/c9-8(10(12)13)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H
InChIKey
DCJFCWOKZWRLBT-UHFFFAOYSA-N
Compound name
2-bromo-2-nitro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.96877 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 143.9
[M+Na]+ 267.95799 146.2
[M+NH4]+ 263.00259 148.1
[M+K]+ 283.93193 149.9
[M-H]- 243.96149 144.6
[M+Na-2H]- 265.94344 146.4
[M]+ 244.96822 143.0
[M]- 244.96932 143.0
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