CID 5929166

Nsc99089

Structural Information

Molecular Formula
C15H9Cl2NO2
SMILES
C1=CC=C2C(=C1)/C(=C/C3=C(C(=CC(=C3)Cl)Cl)O)/C(=O)N2
InChI
InChI=1S/C15H9Cl2NO2/c16-9-5-8(14(19)12(17)7-9)6-11-10-3-1-2-4-13(10)18-15(11)20/h1-7,19H,(H,18,20)/b11-6-
InChIKey
WIWCKDAYUCVYAQ-WDZFZDKYSA-N
Compound name
(3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.00104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00832 166.3
[M+Na]+ 327.99026 178.1
[M-H]- 303.99376 170.1
[M+NH4]+ 323.03486 183.3
[M+K]+ 343.96420 169.0
[M+H-H2O]+ 287.99830 160.9
[M+HCOO]- 349.99924 176.1
[M+CH3COO]- 364.01489 177.7
[M+Na-2H]- 325.97571 167.4
[M]+ 305.00049 167.4
[M]- 305.00159 167.4
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

patents stripe