CID 14673572

34576-80-2

Structural Information

Molecular Formula

C₁₀H₅Cl₃O₂S

SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)Cl)Cl)Cl

InChI

InChI=1S/C10H5Cl3O2S/c1-15-5-3-2-4-6(11)9(10(13)14)16-8(4)7(5)12/h2-3H,1H3

InChIKey

RYIXVDARTFRZDX-UHFFFAOYSA-N

Compound name

3,7-dichloro-6-methoxy-1-benzothiophene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 293.9076 Da
Monoisotopic Mass: 5.0
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]+	294.91488	155.4
[M+Na]+	316.89682	169.1
[M-H]-	292.90032	160.3
[M+NH4]+	311.94142	176.5
[M+K]+	332.87076	163.0
[M+H-H2O]+	276.90486	153.6
[M+HCOO]-	338.90580	161.1
[M+CH3COO]-	352.92145	197.4
[M+Na-2H]-	314.88227	155.8
[M]+	293.90705	164.9
[M]-	293.90815	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe