CID 45050936

2-((4-(4-methylphenyl)-2-thienyl)methylene)malononitrile

Structural Information

Molecular Formula
C15H10N2S
SMILES
CC1=CC=C(C=C1)C2=CSC(=C2)C=C(C#N)C#N
InChI
InChI=1S/C15H10N2S/c1-11-2-4-13(5-3-11)14-7-15(18-10-14)6-12(8-16)9-17/h2-7,10H,1H3
InChIKey
WWSUZMOHAFVKEJ-UHFFFAOYSA-N
Compound name
2-[[4-(4-methylphenyl)thiophen-2-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.063746 179.0
[M+Na]+ 273.045688 190.7
[M-H]- 249.049194 184.8
[M+NH4]+ 268.090293 192.2
[M+K]+ 289.019628 184.0
[M+H-H2O]+ 233.053730 163.4
[M+HCOO]- 295.054671 188.2
[M+CH3COO]- 309.070321 186.1
[M+Na-2H]- 271.031136 176.4
[M]+ 250.05592142 172.1
[M]- 250.05701858 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.