CID 6449721

2-chloro-3-(methylthio)-2-propenenitrile

Structural Information

Molecular Formula
C4H4ClNS
SMILES
CS/C=C(/C#N)\Cl
InChI
InChI=1S/C4H4ClNS/c1-7-3-4(5)2-6/h3H,1H3/b4-3-
InChIKey
MMKRMVVQJFFOEP-ARJAWSKDSA-N
Compound name
(Z)-2-chloro-3-methylsulfanylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

132.9753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 125.4
[M+Na]+ 155.96452 136.4
[M-H]- 131.96802 127.6
[M+NH4]+ 151.00912 146.9
[M+K]+ 171.93846 133.8
[M+H-H2O]+ 115.97256 115.9
[M+HCOO]- 177.97350 136.6
[M+CH3COO]- 191.98915 182.9
[M+Na-2H]- 153.94997 128.5
[M]+ 132.97475 123.3
[M]- 132.97585 123.3
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

patents stripe