CID 67893

408-00-4

Structural Information

Molecular Formula
C4H6FNS
SMILES
C(CF)CSC#N
InChI
InChI=1S/C4H6FNS/c5-2-1-3-7-4-6/h1-3H2
InChIKey
BQNDVYLVJFLZRV-UHFFFAOYSA-N
Compound name
3-fluoropropyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.0205 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02778 118.0
[M+Na]+ 142.00972 128.1
[M-H]- 118.01322 118.8
[M+NH4]+ 137.05432 139.2
[M+K]+ 157.98366 127.5
[M+H-H2O]+ 102.01776 106.6
[M+HCOO]- 164.01870 133.1
[M+CH3COO]- 178.03435 182.7
[M+Na-2H]- 139.99517 122.5
[M]+ 119.01995 114.8
[M]- 119.02105 114.8
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.