CID 12920689

62833-51-6

Structural Information

Molecular Formula

C₇H₅Cl₂NO₅S

SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)Cl

InChI

InChI=1S/C7H5Cl2NO5S/c1-15-6-3-5(10(11)12)4(8)2-7(6)16(9,13)14/h2-3H,1H3

InChIKey

JEOMQYSORAVXEZ-UHFFFAOYSA-N

Compound name

5-chloro-2-methoxy-4-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 284.92654 Da
Monoisotopic Mass: 2.4
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]+	285.93382	150.8
[M+Na]+	307.91576	160.5
[M-H]-	283.91926	155.0
[M+NH4]+	302.96036	167.6
[M+K]+	323.88970	152.5
[M+H-H2O]+	267.92380	152.2
[M+HCOO]-	329.92474	161.4
[M+CH3COO]-	343.94039	186.9
[M+Na-2H]-	305.90121	156.2
[M]+	284.92599	156.5
[M]-	284.92709	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe