CID 24884

1-(4-nitrophenyl)ethyl nitrate

Structural Information

Molecular Formula
C8H8N2O5
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O5/c1-6(15-10(13)14)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3
InChIKey
QFPAMHKBIYSCKR-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05060 150.9
[M+Na]+ 235.03254 157.6
[M+NH4]+ 230.07714 159.8
[M+K]+ 251.00648 167.0
[M-H]- 211.03604 148.2
[M+Na-2H]- 233.01799 149.7
[M]+ 212.04277 152.7
[M]- 212.04387 152.7
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

No patent data available for this compound.