CID 68159

2-fluoroethyl thiocyanate

Structural Information

Molecular Formula

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: 0
Patents: 105.004845 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	106.01212	114.2
[M+Na]+	127.99406	124.6
[M-H]-	103.99757	115.0
[M+NH4]+	123.03867	135.8
[M+K]+	143.96800	124.3
[M+H-H2O]+	88.002105	102.9
[M+HCOO]-	150.00305	129.5
[M+CH3COO]-	164.01870	180.0
[M+Na-2H]-	125.97951	119.0
[M]+	105.00430	110.6
[M]-	105.00539	110.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe