CID 70231

2-chloroethyl thiocyanate

Structural Information

Molecular Formula
C3H4ClNS
SMILES
C(CCl)SC#N
InChI
InChI=1S/C3H4ClNS/c4-1-2-6-3-5/h1-2H2
InChIKey
DYLSBDPBASJBDZ-UHFFFAOYSA-N
Compound name
2-chloroethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

120.975296 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.98257 119.7
[M+Na]+ 143.96451 131.1
[M-H]- 119.96802 122.0
[M+NH4]+ 139.00912 141.7
[M+K]+ 159.93845 128.9
[M+H-H2O]+ 103.97256 110.4
[M+HCOO]- 165.97350 132.0
[M+CH3COO]- 179.98915 181.0
[M+Na-2H]- 141.94996 124.6
[M]+ 120.97475 118.6
[M]- 120.97584 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

literature stripe

Patent stripe

patents stripe