CID 69857876

2-(2-bromo-4-nitrophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)CCO
InChI
InChI=1S/C8H8BrNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKey
PPRYITQQMICKHK-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.96877 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 144.4
[M+Na]+ 267.957988 155.3
[M-H]- 243.961494 149.7
[M+NH4]+ 263.002593 164.2
[M+K]+ 283.931928 140.4
[M+H-H2O]+ 227.966030 148.4
[M+HCOO]- 289.966971 166.4
[M+CH3COO]- 303.982621 181.8
[M+Na-2H]- 265.943436 152.6
[M]+ 244.96822142 162.3
[M]- 244.96931858 162.3
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