CID 6434142

2-(2-nitropropenyl)furan

Structural Information

Molecular Formula
C7H7NO3
SMILES
C/C(=C/C1=CC=CO1)/[N+](=O)[O-]
InChI
InChI=1S/C7H7NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-
InChIKey
ZJQJRPWHHXBVQO-WAYWQWQTSA-N
Compound name
2-[(Z)-2-nitroprop-1-enyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

153.04259 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 130.7
[M+Na]+ 176.03181 137.8
[M-H]- 152.03531 135.1
[M+NH4]+ 171.07641 151.2
[M+K]+ 192.00575 134.1
[M+H-H2O]+ 136.03985 130.1
[M+HCOO]- 198.04079 156.3
[M+CH3COO]- 212.05644 167.8
[M+Na-2H]- 174.01726 138.3
[M]+ 153.04204 129.9
[M]- 153.04314 129.9
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.