CID 13084942

84081-64-1

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

1
Patents

105.004845 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.01212 113.9
[M+Na]+ 127.99406 122.6
[M-H]- 103.99757 114.9
[M+NH4]+ 123.03867 137.9
[M+K]+ 143.96800 121.4
[M+H-H2O]+ 88.002105 108.3
[M+HCOO]- 150.00305 134.9
[M+CH3COO]- 164.01870 169.7
[M+Na-2H]- 125.97951 119.1
[M]+ 105.00430 114.5
[M]- 105.00539 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