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

27
Patents

484.049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.05628 176.2
[M+Na]+ 507.03822 184.0
[M-H]- 483.04172 183.7
[M+NH4]+ 502.08282 185.6
[M+K]+ 523.01216 188.9
[M+H-H2O]+ 467.04626 166.4
[M+HCOO]- 529.04720 193.3
[M+CH3COO]- 543.06285 239.0
[M+Na-2H]- 505.02367 173.6
[M]+ 484.04845 174.9
[M]- 484.04955 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