CID 9570992

1-(2,6-dichlorophenyl)-3,6-diformylindolin-2-one dioxime

Structural Information

Molecular Formula
C16H11Cl2N3O3
SMILES
C1=CC(=C(C(=C1)Cl)N2C3=C(C=CC(=C3)/C=N/O)C(C2=O)/C=N/O)Cl
InChI
InChI=1S/C16H11Cl2N3O3/c17-12-2-1-3-13(18)15(12)21-14-6-9(7-19-23)4-5-10(14)11(8-20-24)16(21)22/h1-8,11,23-24H/b19-7+,20-8+
InChIKey
IOBXWJYKXKKTBR-OKXCLTPOSA-N
Compound name
1-(2,6-dichlorophenyl)-3,6-bis[(E)-hydroxyiminomethyl]-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.01776 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02504 181.6
[M+Na]+ 386.00698 193.0
[M-H]- 362.01048 188.2
[M+NH4]+ 381.05158 197.1
[M+K]+ 401.98092 185.6
[M+H-H2O]+ 346.01502 174.9
[M+HCOO]- 408.01596 196.4
[M+CH3COO]- 422.03161 216.2
[M+Na-2H]- 383.99243 183.4
[M]+ 363.01721 186.5
[M]- 363.01831 186.5
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.