CID 137944430

2287333-90-6

Structural Information

Molecular Formula

C₇H₅ClF₃NO₃S

SMILES

COC1=C(C=C(C=N1)C(F)(F)F)S(=O)(=O)Cl

InChI

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

InChIKey

FIWVVCULYYCMOI-UHFFFAOYSA-N

Compound name

2-methoxy-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	275.970346	146.2
[M+Na]+	297.952288	158.0
[M-H]-	273.955794	145.9
[M+NH4]+	292.996893	162.8
[M+K]+	313.926228	153.7
[M+H-H2O]+	257.960330	138.9
[M+HCOO]-	319.961271	155.1
[M+CH3COO]-	333.976921	190.6
[M+Na-2H]-	295.937736	150.6
[M]+	274.96252142	148.9
[M]-	274.96361858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe