CID 366721

Nsc635438

Structural Information

Molecular Formula
C16H10Cl2N2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O
InChI
InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)
InChIKey
CGVKNDAEXKLQAY-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

379.99667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.00395 180.1
[M+Na]+ 402.98589 188.7
[M-H]- 378.98939 183.7
[M+NH4]+ 398.03049 194.3
[M+K]+ 418.95983 178.2
[M+H-H2O]+ 362.99393 179.8
[M+HCOO]- 424.99487 189.8
[M+CH3COO]- 439.01052 203.5
[M+Na-2H]- 400.97134 183.3
[M]+ 379.99612 181.7
[M]- 379.99722 181.7
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.