CID 69577

5-fluoropentyl thiocyanate

Structural Information

Molecular Formula
C6H10FNS
SMILES
C(CCF)CCSC#N
InChI
InChI=1S/C6H10FNS/c7-4-2-1-3-5-9-6-8/h1-5H2
InChIKey
QHACRDBQKDNTBY-UHFFFAOYSA-N
Compound name
5-fluoropentyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05908 125.7
[M+Na]+ 170.04102 135.1
[M-H]- 146.04452 126.1
[M+NH4]+ 165.08562 145.9
[M+K]+ 186.01496 134.0
[M+H-H2O]+ 130.04906 113.9
[M+HCOO]- 192.05000 140.3
[M+CH3COO]- 206.06565 188.1
[M+Na-2H]- 168.02647 129.3
[M]+ 147.05125 123.2
[M]- 147.05235 123.2
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.