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

22
Patents

165.04259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 131.1
[M+Na]+ 188.031808 138.7
[M-H]- 164.035314 133.8
[M+NH4]+ 183.076413 150.3
[M+K]+ 204.005748 132.2
[M+H-H2O]+ 148.039850 130.4
[M+HCOO]- 210.040791 156.2
[M+CH3COO]- 224.056441 168.2
[M+Na-2H]- 186.017256 139.5
[M]+ 165.04204142 128.8
[M]- 165.04313858 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