CID 5824057

3156-43-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

165.04259 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe