CID 67894

6-fluorohexyl thiocyanate

Structural Information

Molecular Formula
C7H12FNS
SMILES
C(CCCSC#N)CCF
InChI
InChI=1S/C7H12FNS/c8-5-3-1-2-4-6-10-7-9/h1-6H2
InChIKey
IQVNZWORTXPRJG-UHFFFAOYSA-N
Compound name
6-fluorohexyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.06744 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07472 129.6
[M+Na]+ 184.05666 138.5
[M-H]- 160.06016 129.8
[M+NH4]+ 179.10126 149.3
[M+K]+ 200.03060 137.2
[M+H-H2O]+ 144.06470 117.6
[M+HCOO]- 206.06564 143.9
[M+CH3COO]- 220.08129 190.8
[M+Na-2H]- 182.04211 132.7
[M]+ 161.06689 127.3
[M]- 161.06799 127.3
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.