CID 67705

4-fluorobutyl thiocyanate

Structural Information

Molecular Formula
C5H8FNS
SMILES
C(CCSC#N)CF
InChI
InChI=1S/C5H8FNS/c6-3-1-2-4-8-5-7/h1-4H2
InChIKey
WJNNTTIXPJJQJD-UHFFFAOYSA-N
Compound name
4-fluorobutyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.03615 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04343 121.9
[M+Na]+ 156.02537 131.6
[M-H]- 132.02887 122.5
[M+NH4]+ 151.06997 142.6
[M+K]+ 171.99931 130.7
[M+H-H2O]+ 116.03341 110.3
[M+HCOO]- 178.03435 136.7
[M+CH3COO]- 192.05000 185.4
[M+Na-2H]- 154.01082 125.9
[M]+ 133.03560 119.0
[M]- 133.03670 119.0
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.