CID 3056929

Iodomethyl thiocyanate

Structural Information

Molecular Formula
C2H2INS
SMILES
C(SC#N)I
InChI
InChI=1S/C2H2INS/c3-1-5-2-4/h1H2
InChIKey
MEZLHPGTFGWNAW-UHFFFAOYSA-N
Compound name
iodomethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.89526 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.90254 124.7
[M+Na]+ 221.88448 129.0
[M-H]- 197.88798 121.0
[M+NH4]+ 216.92908 142.3
[M+K]+ 237.85842 133.8
[M+H-H2O]+ 181.89252 111.5
[M+HCOO]- 243.89346 136.8
[M+CH3COO]- 257.90911 185.7
[M+Na-2H]- 219.86993 118.9
[M]+ 198.89471 119.9
[M]- 198.89581 119.9
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