CID 163198787

Pujwvxudmxvdkw-uhfffaoysa-n

Structural Information

Molecular Formula
C7H6F10OS
SMILES
CCSC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C7H6F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,2H2,1H3
InChIKey
QVCOOZPMHNPTHT-UHFFFAOYSA-N
Compound name
1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.99796 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00524 156.4
[M+Na]+ 350.98718 164.3
[M-H]- 326.99068 144.5
[M+NH4]+ 346.03178 170.0
[M+K]+ 366.96112 161.5
[M+H-H2O]+ 310.99522 143.8
[M+HCOO]- 372.99616 157.2
[M+CH3COO]- 387.01181 206.9
[M+Na-2H]- 348.97263 156.3
[M]+ 327.99741 145.1
[M]- 327.99851 145.1
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.