CID 14223272

3,3,4,4,5,5,6,6,6-nonafluorohexyl thiocyanate

Structural Information

Molecular Formula
C7H4F9NS
SMILES
C(CSC#N)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F9NS/c8-4(9,1-2-18-3-17)5(10,11)6(12,13)7(14,15)16/h1-2H2
InChIKey
GGOWJPVBRDJYHL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

304.99207 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99935 148.6
[M+Na]+ 327.98129 157.1
[M-H]- 303.98479 139.4
[M+NH4]+ 323.02589 161.6
[M+K]+ 343.95523 155.9
[M+H-H2O]+ 287.98933 131.3
[M+HCOO]- 349.99027 150.0
[M+CH3COO]- 364.00592 212.3
[M+Na-2H]- 325.96674 150.0
[M]+ 304.99152 134.0
[M]- 304.99262 134.0
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

patents stripe