CID 67541

306-18-3

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC=C(C=C1)NN=C(C#N)C#N
InChI
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
InChIKey
MENUYOGJCXAFFU-UHFFFAOYSA-N
Compound name
2-(phenylhydrazinylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

106
Patents

170.05925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06653 154.4
[M+Na]+ 193.04847 162.7
[M-H]- 169.05197 158.0
[M+NH4]+ 188.09307 167.1
[M+K]+ 209.02241 159.9
[M+H-H2O]+ 153.05651 138.4
[M+HCOO]- 215.05745 168.9
[M+CH3COO]- 229.07310 217.0
[M+Na-2H]- 191.03392 157.5
[M]+ 170.05870 145.0
[M]- 170.05980 145.0
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