CID 102598504

6:2 fluorotelomer sulfonamido propyl methyl amine

Structural Information

Molecular Formula
C12H15F13N2O2S
SMILES
CNCCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H15F13N2O2S/c1-26-4-2-5-27-30(28,29)6-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26-27H,2-6H2,1H3
InChIKey
ATVLXKVTLCASLQ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-[3-(methylamino)propyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

498.06467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.07195 176.3
[M+Na]+ 521.05389 182.6
[M-H]- 497.05739 181.7
[M+NH4]+ 516.09849 182.2
[M+K]+ 537.02783 187.4
[M+H-H2O]+ 481.06193 164.8
[M+HCOO]- 543.06287 193.7
[M+CH3COO]- 557.07852 238.8
[M+Na-2H]- 519.03934 172.3
[M]+ 498.06412 173.7
[M]- 498.06522 173.7
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