CID 22149415

31506-34-0

Structural Information

Molecular Formula
C12H10F17NO2S
SMILES
CCCCNS(=O)(=O)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
InChI
InChI=1S/C12H10F17NO2S/c1-2-3-4-30-33(31,32)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h30H,2-4H2,1H3
InChIKey
UUZCNLZINSJLSR-UHFFFAOYSA-N
Compound name
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

555.01605 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.02333 179.0
[M+Na]+ 578.00527 183.6
[M-H]- 554.00877 186.2
[M+NH4]+ 573.04987 188.1
[M+K]+ 593.97921 192.7
[M+H-H2O]+ 538.01331 166.4
[M+HCOO]- 600.01425 198.0
[M+CH3COO]- 614.02990 244.9
[M+Na-2H]- 575.99072 176.8
[M]+ 555.01550 178.8
[M]- 555.01660 178.8
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

patents stripe