CID 22286935

Mefbsaa

Structural Information

Molecular Formula

C₇H₆F₉NO₄S

SMILES

CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H6F9NO4S/c1-17(2-3(18)19)22(20,21)7(15,16)5(10,11)4(8,9)6(12,13)14/h2H2,1H3,(H,18,19)

InChIKey

SKGBGOQHXBAKKO-UHFFFAOYSA-N

Compound name

2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 370.9874 Da
Monoisotopic Mass: 2.3
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]+	371.99468	160.8
[M+Na]+	393.97662	168.0
[M-H]-	369.98012	150.1
[M+NH4]+	389.02122	164.1
[M+K]+	409.95056	166.4
[M+H-H2O]+	353.98466	149.2
[M+HCOO]-	415.98560	172.2
[M+CH3COO]-	430.00125	212.8
[M+Na-2H]-	391.96207	163.6
[M]+	370.98685	150.8
[M]-	370.98795	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe