CID 67922

1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-2-propen-1-yl-

Structural Information

Molecular Formula
C11H6F17NO2S
SMILES
C=CCNS(=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/C11H6F17NO2S/c1-2-3-29-32(30,31)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2,29H,1,3H2
InChIKey
QDPPBTYBIPLUFD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-prop-2-enyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

538.9848 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.99208 174.1
[M+Na]+ 561.97402 179.3
[M-H]- 537.97752 182.1
[M+NH4]+ 557.01862 183.4
[M+K]+ 577.94796 187.7
[M+H-H2O]+ 521.98206 161.6
[M+HCOO]- 583.98300 194.0
[M+CH3COO]- 597.99865 241.5
[M+Na-2H]- 559.95947 172.7
[M]+ 538.98425 173.8
[M]- 538.98535 173.8
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