CID 163408259

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-n-(3-hydroxypropyl)octane-1-sulfonamide

Structural Information

Molecular Formula
C11H12F13NO3S
SMILES
C(CNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C11H12F13NO3S/c12-6(13,2-5-29(27,28)25-3-1-4-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25-26H,1-5H2
InChIKey
WCTIWFIWSNWSMQ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3-hydroxypropyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.03302 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.04030 169.2
[M+Na]+ 508.02224 173.5
[M-H]- 484.02574 173.2
[M+NH4]+ 503.06684 174.6
[M+K]+ 523.99618 178.8
[M+H-H2O]+ 468.03028 175.3
[M+HCOO]- 530.03122 187.2
[M+CH3COO]- 544.04687 231.2
[M+Na-2H]- 506.00769 165.0
[M]+ 485.03247 167.9
[M]- 485.03357 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.