CID 156600072

Ns00114958

Structural Information

Molecular Formula
C10H12F9N2S
SMILES
C1=CC=[N+](N=C1)CCCCC(C(F)(F)S(F)(F)(F)(F)F)(F)F
InChI
InChI=1S/C10H12F9N2S/c11-9(12,10(13,14)22(15,16,17,18)19)5-1-3-7-21-8-4-2-6-20-21/h2,4,6,8H,1,3,5,7H2/q+1
InChIKey
WLQPMYOVVVQZBV-UHFFFAOYSA-N
Compound name
pentafluoro-(1,1,2,2-tetrafluoro-6-pyridazin-1-ium-1-ylhexyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.05774 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06502 158.5
[M+Na]+ 386.04696 168.0
[M-H]- 362.05046 148.8
[M+NH4]+ 381.09156 168.7
[M+K]+ 402.02090 156.9
[M+H-H2O]+ 346.05500 147.4
[M+HCOO]- 408.05594 161.3
[M+CH3COO]- 422.07159 204.4
[M+Na-2H]- 384.03241 161.3
[M]+ 363.05719 147.8
[M]- 363.05829 147.8
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.