CID 6391021

76855-01-1

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C(/C=C/Cl)SC#N
InChI
InChI=1S/C4H4ClNS/c5-2-1-3-7-4-6/h1-2H,3H2/b2-1+
InChIKey
KLFSZAVVJVHPTD-OWOJBTEDSA-N
Compound name
[(E)-3-chloroprop-2-enyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.9753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 119.0
[M+Na]+ 155.96452 130.4
[M+NH4]+ 151.00912 125.1
[M+K]+ 171.93846 119.3
[M-H]- 131.96802 112.7
[M+Na-2H]- 153.94997 121.7
[M]+ 132.97475 118.6
[M]- 132.97585 118.6
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