CID 110559

Einecs 271-456-8

Structural Information

Molecular Formula
C10H13F11N2O2S
SMILES
CN(C)CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H13F11N2O2S/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h22H,3-5H2,1-2H3
InChIKey
VGJZPFMDBNZBTG-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

434.05222 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.05950 179.7
[M+Na]+ 457.04144 185.8
[M-H]- 433.04494 177.4
[M+NH4]+ 452.08604 179.6
[M+K]+ 473.01538 183.2
[M+H-H2O]+ 417.04948 165.6
[M+HCOO]- 479.05042 188.7
[M+CH3COO]- 493.06607 230.7
[M+Na-2H]- 455.02689 182.3
[M]+ 434.05167 166.5
[M]- 434.05277 166.5
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