CID 130504127

1-fluoro-3-isothiocyanatopropane

Structural Information

Molecular Formula
C4H6FNS
SMILES
C(CN=C=S)CF
InChI
InChI=1S/C4H6FNS/c5-2-1-3-6-4-7/h1-3H2
InChIKey
UZKAEXNYIPTWDE-UHFFFAOYSA-N
Compound name
1-fluoro-3-isothiocyanatopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.0205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02778 118.4
[M+Na]+ 142.00972 126.7
[M-H]- 118.01322 119.2
[M+NH4]+ 137.05432 141.8
[M+K]+ 157.98366 125.2
[M+H-H2O]+ 102.01776 112.6
[M+HCOO]- 164.01870 139.0
[M+CH3COO]- 178.03435 172.8
[M+Na-2H]- 139.99517 123.1
[M]+ 119.01995 119.4
[M]- 119.02105 119.4
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

No patent data available for this compound.