CID 13084942

2-fluoroethyl isothiocyanate

Structural Information

Molecular Formula

SMILES

C(CF)N=C=S

InChI

InChI=1S/C3H4FNS/c4-1-2-5-3-6/h1-2H2

InChIKey

JROMEDPVTPKCNU-UHFFFAOYSA-N

Compound name

1-fluoro-2-isothiocyanatoethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 105.004845 Da
Monoisotopic Mass: 1.9
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	118.1
[M+Na]+	127.99406	127.9
[M+NH4]+	123.03867	126.7
[M+K]+	143.96800	119.7
[M-H]-	103.99757	117.8
[M+Na-2H]-	125.97951	122.2
[M]+	105.00430	119.6
[M]-	105.00539	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe