CID 68159

2-fluoroethyl thiocyanate

Structural Information

Molecular Formula
C3H4FNS
SMILES
C(CSC#N)F
InChI
InChI=1S/C3H4FNS/c4-1-2-6-3-5/h1-2H2
InChIKey
YCDXXCPZKJPBTE-UHFFFAOYSA-N
Compound name
2-fluoroethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

105.004845 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.012121 114.2
[M+Na]+ 127.994063 124.6
[M-H]- 103.997569 115.0
[M+NH4]+ 123.038668 135.8
[M+K]+ 143.968003 124.3
[M+H-H2O]+ 88.002105 102.9
[M+HCOO]- 150.003046 129.5
[M+CH3COO]- 164.018696 180.0
[M+Na-2H]- 125.979511 119.0
[M]+ 105.00429642 110.6
[M]- 105.00539358 110.6
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

patents stripe