CID 166001339

Krxbvvqhpxkqnv-nscuhmnnsa-n

Structural Information

Molecular Formula
C6H3F9OS
SMILES
CS/C(=C(/OC(C(C(F)(F)F)(F)F)(F)F)\F)/F
InChI
InChI=1S/C6H3F9OS/c1-17-3(8)2(7)16-6(14,15)4(9,10)5(11,12)13/h1H3/b3-2+
InChIKey
CHXILNIBYGLBAE-NSCUHMNNSA-N
Compound name
1-[(Z)-1,2-difluoro-2-methylsulfanylethenoxy]-1,1,2,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.97607 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98335 147.1
[M+Na]+ 316.96529 155.2
[M-H]- 292.96879 136.3
[M+NH4]+ 312.00989 162.1
[M+K]+ 332.93923 152.4
[M+H-H2O]+ 276.97333 135.3
[M+HCOO]- 338.97427 149.9
[M+CH3COO]- 352.98992 199.6
[M+Na-2H]- 314.95074 146.0
[M]+ 293.97552 136.3
[M]- 293.97662 136.3
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.