CID 18526153

874781-18-7

Structural Information

Molecular Formula

C₈H₆ClNO₅S

SMILES

C1COC2=C1C=C(C=C2[N+](=O)[O-])S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2

InChIKey

KFYKLVMQGONPLM-UHFFFAOYSA-N

Compound name

7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 262.9655 Da
Monoisotopic Mass: 1.8
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]+	263.97278	147.4
[M+Na]+	285.95472	159.4
[M+NH4]+	280.99932	155.3
[M+K]+	301.92866	157.5
[M-H]-	261.95822	150.1
[M+Na-2H]-	283.94017	150.8
[M]+	262.96495	150.4
[M]-	262.96605	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe