CID 139595911

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-(2-hydroxyethyl)heptane-1-sulfonamide

Structural Information

Molecular Formula
C9H6F15NO3S
SMILES
C(CO)NS(=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/C9H6F15NO3S/c10-3(11,4(12,13)6(16,17)8(20,21)22)5(14,15)7(18,19)9(23,24)29(27,28)25-1-2-26/h25-26H,1-2H2
InChIKey
LJJUSVBJKZXMCP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

492.98288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.99016 163.6
[M+Na]+ 515.97210 167.8
[M-H]- 491.97560 170.2
[M+NH4]+ 511.01670 170.4
[M+K]+ 531.94604 174.2
[M+H-H2O]+ 475.98014 151.4
[M+HCOO]- 537.98108 182.4
[M+CH3COO]- 551.99673 231.7
[M+Na-2H]- 513.95755 161.2
[M]+ 492.98233 162.6
[M]- 492.98343 162.6
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.