CID 18539798

219715-41-0

Structural Information

Molecular Formula

C₇H₅ClF₃NO₃S

SMILES

COC1=NC=CC(=C1S(=O)(=O)Cl)C(F)(F)F

InChI

InChI=1S/C7H5ClF3NO3S/c1-15-6-5(16(8,13)14)4(2-3-12-6)7(9,10)11/h2-3H,1H3

InChIKey

DMKFWTCEKLNOKK-UHFFFAOYSA-N

Compound name

2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 274.96307 Da
Monoisotopic Mass: 2.1
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]+	275.97035	155.8
[M+Na]+	297.95229	164.7
[M+NH4]+	292.99689	160.2
[M+K]+	313.92623	159.2
[M-H]-	273.95579	150.8
[M+Na-2H]-	295.93774	158.5
[M]+	274.96252	156.0
[M]-	274.96362	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe