CID 6449721

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

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

8
Patents

132.9753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.982576 125.4
[M+Na]+ 155.964518 136.4
[M-H]- 131.968024 127.6
[M+NH4]+ 151.009123 146.9
[M+K]+ 171.938458 133.8
[M+H-H2O]+ 115.972560 115.9
[M+HCOO]- 177.973501 136.5
[M+CH3COO]- 191.989151 182.9
[M+Na-2H]- 153.949966 128.5
[M]+ 132.97475142 123.3
[M]- 132.97584858 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