CID 23409

Malononitrile, salicylidene-

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC=C(C(=C1)C=C(C#N)C#N)O
InChI
InChI=1S/C10H6N2O/c11-6-8(7-12)5-9-3-1-2-4-10(9)13/h1-5,13H
InChIKey
FHSXHHWBTYNRBD-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.04802 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.055296 153.5
[M+Na]+ 193.037238 163.3
[M-H]- 169.040744 156.2
[M+NH4]+ 188.081843 166.4
[M+K]+ 209.011178 159.2
[M+H-H2O]+ 153.045280 138.8
[M+HCOO]- 215.046221 165.3
[M+CH3COO]- 229.061871 211.2
[M+Na-2H]- 191.022686 155.3
[M]+ 170.04747142 144.4
[M]- 170.04856858 144.4
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