CID 2736317

175203-74-4

Structural Information

Molecular Formula

C₇H₅ClN₂O₇S

SMILES

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

InChI

InChI=1S/C7H5ClN2O7S/c1-17-7-5(9(11)12)2-4(18(8,15)16)3-6(7)10(13)14/h2-3H,1H3

InChIKey

QSJODFKEHYDNRE-UHFFFAOYSA-N

Compound name

4-methoxy-3,5-dinitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 295.9506 Da
Monoisotopic Mass: 1.6
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]+	296.95788	156.8
[M+Na]+	318.93982	163.8
[M-H]-	294.94332	161.0
[M+NH4]+	313.98442	170.8
[M+K]+	334.91376	153.0
[M+H-H2O]+	278.94786	160.8
[M+HCOO]-	340.94880	172.6
[M+CH3COO]-	354.96445	184.4
[M+Na-2H]-	316.92527	165.0
[M]+	295.95005	159.0
[M]-	295.95115	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe