CID 163198789

Sqcdmahmwjwarm-uhfffaoysa-n

Structural Information

Molecular Formula
C6H4F10OS
SMILES
CSC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C6H4F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H3
InChIKey
JZORSIUHYLZUKX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.98233 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98961 151.9
[M+Na]+ 336.97155 160.2
[M-H]- 312.97505 140.1
[M+NH4]+ 332.01615 165.9
[M+K]+ 352.94549 157.6
[M+H-H2O]+ 296.97959 139.4
[M+HCOO]- 358.98053 153.0
[M+CH3COO]- 372.99618 204.0
[M+Na-2H]- 334.95700 152.2
[M]+ 313.98178 140.2
[M]- 313.98288 140.2
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.