CID 142567075

N,n-bis(trifluoromethylsulfonyl)sulfamoyl fluoride

Structural Information

Molecular Formula

C₂F₇NO₆S₃

SMILES

C(F)(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)F

InChI

InChI=1S/C2F7NO6S3/c3-1(4,5)17(11,12)10(19(9,15)16)18(13,14)2(6,7)8

InChIKey

FQUMCUVQIOGWQW-UHFFFAOYSA-N

Compound name

N,N-bis(trifluoromethylsulfonyl)sulfamoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.8776 Da
Monoisotopic Mass: 1.6
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]+	363.884876	159.2
[M+Na]+	385.866818	166.2
[M-H]-	361.870324	150.5
[M+NH4]+	380.911423	170.0
[M+K]+	401.840758	161.7
[M+H-H2O]+	345.874860	147.6
[M+HCOO]-	407.875801	156.3
[M+CH3COO]-	421.891451	204.5
[M+Na-2H]-	383.852266	164.6
[M]+	362.87705142	153.2
[M]-	362.87814858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe