CID 119677

1-nonanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-

Structural Information

Molecular Formula
C9H4ClF15O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4ClF15O2S/c10-28(26,27)2-1-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1-2H2
InChIKey
CBCLHIUXUOXITK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

495.9381 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.94538 183.8
[M+Na]+ 518.92732 171.2
[M-H]- 494.93082 171.2
[M+NH4]+ 513.97192 175.6
[M+K]+ 534.90126 187.7
[M+H-H2O]+ 478.93536 169.4
[M+HCOO]- 540.93630 188.0
[M+CH3COO]- 554.95195 231.0
[M+Na-2H]- 516.91277 186.9
[M]+ 495.93755 170.4
[M]- 495.93865 170.5
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.