CID 11390955

637772-38-4

Structural Information

Molecular Formula

C₃H₃F₆NO₃S

SMILES

C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)N

InChI

InChI=1S/C3H3F6NO3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H,(H2,10,11,12)

InChIKey

MIEKENGUIASFSB-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoropropan-2-yl sulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 246.97379 Da
Monoisotopic Mass: 1.3
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]+	247.98107	136.9
[M+Na]+	269.96301	145.4
[M-H]-	245.96651	129.4
[M+NH4]+	265.00761	153.4
[M+K]+	285.93695	143.8
[M+H-H2O]+	229.97105	127.5
[M+HCOO]-	291.97199	145.6
[M+CH3COO]-	305.98764	188.1
[M+Na-2H]-	267.94846	139.6
[M]+	246.97324	129.8
[M]-	246.97434	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe