CID 76755

Chloromethyl thiocyanate

Structural Information

Molecular Formula
C2H2ClNS
SMILES
C(SC#N)Cl
InChI
InChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2
InChIKey
UXUCVNXUWOLPRU-UHFFFAOYSA-N
Compound name
chloromethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

253
Patents

106.95965 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.96693 115.9
[M+Na]+ 129.94887 127.5
[M-H]- 105.95237 118.3
[M+NH4]+ 124.99347 138.3
[M+K]+ 145.92281 125.7
[M+H-H2O]+ 89.956910 106.7
[M+HCOO]- 151.95785 128.4
[M+CH3COO]- 165.97350 178.3
[M+Na-2H]- 127.93432 121.1
[M]+ 106.95910 114.4
[M]- 106.96020 114.4
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