CID 638437

4-(2-nitrovinyl)phenol

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=CC(=CC=C1/C=C/[N+](=O)[O-])O
InChI
InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
InChIKey
CTJKRKMPTRJAIT-AATRIKPKSA-N
Compound name
4-[(E)-2-nitroethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

92
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 144.3
[M+NH4]+ 183.07641 139.1
[M+K]+ 204.00575 140.8
[M-H]- 164.03531 133.7
[M+Na-2H]- 186.01726 137.5
[M]+ 165.04204 133.5
[M]- 165.04314 133.5
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

patents stripe