CID 4459025

3-(2-nitroethenyl)phenol

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC(=CC(=C1)O)C=C[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H
InChIKey
DHTXBJQMDPODIB-UHFFFAOYSA-N
Compound name
3-(2-nitroethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

165.04259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 131.1
[M+Na]+ 188.03181 138.7
[M-H]- 164.03531 133.8
[M+NH4]+ 183.07641 150.3
[M+K]+ 204.00575 132.2
[M+H-H2O]+ 148.03985 130.4
[M+HCOO]- 210.04079 156.2
[M+CH3COO]- 224.05644 168.2
[M+Na-2H]- 186.01726 139.5
[M]+ 165.04204 128.8
[M]- 165.04314 128.8
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