CID 99229

2-[bis(methylsulfanyl)methylidene]propanedinitrile

Structural Information

Molecular Formula
C6H6N2S2
SMILES
CSC(=C(C#N)C#N)SC
InChI
InChI=1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChIKey
FICQFRCPSFCFBY-UHFFFAOYSA-N
Compound name
2-[bis(methylsulfanyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1703
Patents

169.99724 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.004516 155.5
[M+Na]+ 192.986458 164.8
[M-H]- 168.989964 159.6
[M+NH4]+ 188.031063 169.9
[M+K]+ 208.960398 164.2
[M+H-H2O]+ 152.994500 141.7
[M+HCOO]- 214.995441 159.5
[M+CH3COO]- 229.011091 212.3
[M+Na-2H]- 190.971906 153.8
[M]+ 169.99669142 149.5
[M]- 169.99778858 149.5
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