CID 110558

Einecs 271-455-2

Structural Information

Molecular Formula
C9H13F9N2O2S
SMILES
CN(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H13F9N2O2S/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,3-5H2,1-2H3
InChIKey
XMRMVBVJGSKMEN-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

384.0554 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06268 170.5
[M+Na]+ 407.04462 176.8
[M-H]- 383.04812 160.6
[M+NH4]+ 402.08922 181.7
[M+K]+ 423.01856 174.4
[M+H-H2O]+ 367.05266 157.8
[M+HCOO]- 429.05360 174.0
[M+CH3COO]- 443.06925 222.0
[M+Na-2H]- 405.03007 173.2
[M]+ 384.05485 160.6
[M]- 384.05595 160.6
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