CID 309458

2-methoxy-4-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₆ClNO₅S

SMILES

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

InChI

InChI=1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3

InChIKey

QECYXMKYZQXEHM-UHFFFAOYSA-N

Compound name

2-methoxy-4-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 397
Patents: 250.96552 Da
Monoisotopic Mass: 1.7
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]+	251.97280	145.2
[M+Na]+	273.95474	158.1
[M+NH4]+	268.99934	152.4
[M+K]+	289.92868	154.2
[M-H]-	249.95824	146.6
[M+Na-2H]-	271.94019	150.4
[M]+	250.96497	148.0
[M]-	250.96607	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe