CID 11197644

1,1,1,2,2,3,3,4,4-nonafluoro-6-(methanesulfinyl)hexane

Structural Information

Molecular Formula
C7H7F9OS
SMILES
CS(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F9OS/c1-18(17)3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKey
WJDLEZALBASYOV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-methylsulfinylhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

310.0074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01468 152.6
[M+Na]+ 332.99662 160.8
[M-H]- 309.00012 141.9
[M+NH4]+ 328.04122 167.0
[M+K]+ 348.97056 157.8
[M+H-H2O]+ 293.00466 141.0
[M+HCOO]- 355.00560 154.6
[M+CH3COO]- 369.02125 203.0
[M+Na-2H]- 330.98207 153.1
[M]+ 310.00685 142.0
[M]- 310.00795 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe