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]+ 314.989606 151.9
[M+Na]+ 336.971548 160.2
[M-H]- 312.975054 140.1
[M+NH4]+ 332.016153 165.9
[M+K]+ 352.945488 157.6
[M+H-H2O]+ 296.979590 139.4
[M+HCOO]- 358.980531 153.0
[M+CH3COO]- 372.996181 204.0
[M+Na-2H]- 334.956996 152.2
[M]+ 313.98178142 140.2
[M]- 313.98287858 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.