CID 109951

1-heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-methyl-

Structural Information

Molecular Formula
C8H4F15NO2S
SMILES
CNS(=O)(=O)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/C8H4F15NO2S/c1-24-27(25,26)8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h24H,1H3
InChIKey
KDHCALLFPWZTPN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

462.97232 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.97960 161.3
[M+Na]+ 485.96154 167.0
[M-H]- 461.96504 168.0
[M+NH4]+ 481.00614 169.4
[M+K]+ 501.93548 173.0
[M+H-H2O]+ 445.96958 166.3
[M+HCOO]- 507.97052 181.8
[M+CH3COO]- 521.98617 229.6
[M+Na-2H]- 483.94699 185.4
[M]+ 462.97177 161.5
[M]- 462.97287 161.5
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

patents stripe