CID 687331

32782-45-9

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=COC(=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKey
WVUICGOYGDHVBH-ONEGZZNKSA-N
Compound name
2-[(E)-2-nitroethenyl]furan
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

587
Patents

139.02695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 125.6
[M+Na]+ 162.01617 133.4
[M-H]- 138.01967 130.1
[M+NH4]+ 157.06077 146.7
[M+K]+ 177.99011 129.5
[M+H-H2O]+ 122.02421 125.1
[M+HCOO]- 184.02515 152.5
[M+CH3COO]- 198.04080 164.0
[M+Na-2H]- 160.00162 135.0
[M]+ 139.02640 125.1
[M]- 139.02750 125.1
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