CID 10037409

217454-98-3

Structural Information

Molecular Formula

C₇H₅F₄NO₂S

SMILES

C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)N)F

InChI

InChI=1S/C7H5F4NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14)

InChIKey

UQNWALSRFRMXJA-UHFFFAOYSA-N

Compound name

2-fluoro-5-(trifluoromethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 242.99771 Da
Monoisotopic Mass: 1.5
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]+	244.00499	141.3
[M+Na]+	265.98693	151.7
[M-H]-	241.99043	140.1
[M+NH4]+	261.03153	158.9
[M+K]+	281.96087	147.6
[M+H-H2O]+	225.99497	132.7
[M+HCOO]-	287.99591	154.9
[M+CH3COO]-	302.01156	189.2
[M+Na-2H]-	263.97238	144.5
[M]+	242.99716	137.1
[M]-	242.99826	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe