CID 69857876

2-bromo-4-nitrophenethyl alcohol

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]+ 245.97605 144.4
[M+Na]+ 267.95799 155.3
[M-H]- 243.96149 149.7
[M+NH4]+ 263.00259 164.2
[M+K]+ 283.93193 140.4
[M+H-H2O]+ 227.96603 148.4
[M+HCOO]- 289.96697 166.4
[M+CH3COO]- 303.98262 181.8
[M+Na-2H]- 265.94344 152.6
[M]+ 244.96822 162.3
[M]- 244.96932 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