CID 91966

55982-45-1

Structural Information

Molecular Formula
C5H8ClNOS
SMILES
C(CSC#N)OCCCl
InChI
InChI=1S/C5H8ClNOS/c6-1-2-8-3-4-9-5-7/h1-4H2
InChIKey
IQJWXYSVLWVEJZ-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)ethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.00151 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.00879 129.7
[M+Na]+ 187.99073 140.2
[M-H]- 163.99423 131.6
[M+NH4]+ 183.03533 150.0
[M+K]+ 203.96467 138.0
[M+H-H2O]+ 147.99877 119.8
[M+HCOO]- 209.99971 141.6
[M+CH3COO]- 224.01536 188.1
[M+Na-2H]- 185.97618 133.8
[M]+ 165.00096 130.5
[M]- 165.00206 130.5
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.