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: 18
Patents: 384.0554 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.062676	170.5
[M+Na]+	407.044618	176.8
[M-H]-	383.048124	160.6
[M+NH4]+	402.089223	181.7
[M+K]+	423.018558	174.4
[M+H-H2O]+	367.052660	157.8
[M+HCOO]-	429.053601	174.0
[M+CH3COO]-	443.069251	222.0
[M+Na-2H]-	405.030066	173.2
[M]+	384.05485142	160.6
[M]-	384.05594858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe