CID 58709

101670-64-8

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C=CC(N=C=S)Cl
InChI
InChI=1S/C4H4ClNS/c1-2-4(5)6-3-7/h2,4H,1H2
InChIKey
IBJTXFMZFGUXGV-UHFFFAOYSA-N
Compound name
3-chloro-3-isothiocyanatoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.9753 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 125.6
[M+Na]+ 155.96452 136.6
[M+NH4]+ 151.00912 134.7
[M+K]+ 171.93846 127.9
[M-H]- 131.96802 126.3
[M+Na-2H]- 153.94997 129.8
[M]+ 132.97475 127.9
[M]- 132.97585 127.9
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.