CID 89927646

Ec 608-993-8

Structural Information

Molecular Formula
C13H17F13N2O2S
SMILES
CN(C)CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H17F13N2O2S/c1-28(2)6-3-5-27-31(29,30)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3
InChIKey
TZIPMEZQXPAKPK-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12
Patents

512.0803 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.08758 183.8
[M+Na]+ 535.06952 191.2
[M-H]- 511.07302 190.7
[M+NH4]+ 530.11412 193.0
[M+K]+ 551.04346 196.8
[M+H-H2O]+ 495.07756 173.7
[M+HCOO]- 557.07850 200.1
[M+CH3COO]- 571.09415 244.3
[M+Na-2H]- 533.05497 180.2
[M]+ 512.07975 182.2
[M]- 512.08085 182.2
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

patents stripe