CID 111913

Einecs 256-639-2

Structural Information

Molecular Formula
C11H13F13N2O2S
SMILES
CN(C)CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F13N2O2S/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25H,3-5H2,1-2H3
InChIKey
INDOGKYZYLAGEM-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

484.049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.056276 176.2
[M+Na]+ 507.038218 184.0
[M-H]- 483.041724 183.7
[M+NH4]+ 502.082823 185.6
[M+K]+ 523.012158 188.9
[M+H-H2O]+ 467.046260 166.4
[M+HCOO]- 529.047201 193.3
[M+CH3COO]- 543.062851 239.0
[M+Na-2H]- 505.023666 173.6
[M]+ 484.04845142 174.9
[M]- 484.04954858 174.9
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