CID 13084942

1-fluoro-2-isothiocyanatoethane

Structural Information

Molecular Formula
C3H4FNS
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

3
Patents

105.004845 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.012121 113.9
[M+Na]+ 127.994063 122.6
[M-H]- 103.997569 114.9
[M+NH4]+ 123.038668 137.9
[M+K]+ 143.968003 121.4
[M+H-H2O]+ 88.002105 108.3
[M+HCOO]- 150.003046 134.9
[M+CH3COO]- 164.018696 169.7
[M+Na-2H]- 125.979511 119.1
[M]+ 105.00429642 114.5
[M]- 105.00539358 114.5
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

patents stripe