CID 135612773

52000-83-6

Structural Information

Molecular Formula
C17H7Cl4NO2S
SMILES
CC1=C2C(=C(SC2=C(C=C1Cl)Cl)C3=NC4=C(C3=O)C=CC(=C4Cl)Cl)O
InChI
InChI=1S/C17H7Cl4NO2S/c1-5-8(19)4-9(20)16-10(5)15(24)17(25-16)13-14(23)6-2-3-7(18)11(21)12(6)22-13/h2-4,24H,1H3
InChIKey
JWOLPCVFVBCVGL-UHFFFAOYSA-N
Compound name
6,7-dichloro-2-(5,7-dichloro-3-hydroxy-4-methyl-1-benzothiophen-2-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.89517 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.902446 195.4
[M+Na]+ 451.884388 211.4
[M-H]- 427.887894 200.9
[M+NH4]+ 446.928993 212.1
[M+K]+ 467.858328 203.8
[M+H-H2O]+ 411.892430 192.7
[M+HCOO]- 473.893371 193.4
[M+CH3COO]- 487.909021 205.8
[M+Na-2H]- 449.869836 190.4
[M]+ 428.89462142 205.2
[M]- 428.89571858 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.