CID 119687

Einecs 248-579-0

Structural Information

Molecular Formula
C12H4ClF21O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4ClF21O2S/c13-37(35,36)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2
InChIKey
WYMPCOCJUKZUBF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

645.9285 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.93578 186.8
[M+Na]+ 668.91772 190.2
[M-H]- 644.92122 195.7
[M+NH4]+ 663.96232 198.7
[M+K]+ 684.89166 203.0
[M+H-H2O]+ 628.92576 174.2
[M+HCOO]- 690.92670 206.8
[M+CH3COO]- 704.94235 252.5
[M+Na-2H]- 666.90317 186.8
[M]+ 645.92795 190.3
[M]- 645.92905 190.3
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.