CID 94081

Furan-2,5-dicarbonitrile

Structural Information

Molecular Formula
C6H2N2O
SMILES
C1=C(OC(=C1)C#N)C#N
InChI
InChI=1S/C6H2N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H
InChIKey
KCSYJHQYWTYFCM-UHFFFAOYSA-N
Compound name
furan-2,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

118.016716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.023992 135.2
[M+Na]+ 141.005934 146.4
[M-H]- 117.009440 139.2
[M+NH4]+ 136.050539 150.3
[M+K]+ 156.979874 144.3
[M+H-H2O]+ 101.013976 120.2
[M+HCOO]- 163.014917 149.2
[M+CH3COO]- 177.030567 205.6
[M+Na-2H]- 138.991382 139.5
[M]+ 118.01616742 128.3
[M]- 118.01726458 128.3
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