CID 360290

Nsc622325

Structural Information

Molecular Formula
C16H10Cl3NO3
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)Cl
InChI
InChI=1S/C16H10Cl3NO3/c17-9-3-1-8(2-4-9)13(21)7-16(23)11-5-10(18)6-12(19)14(11)20-15(16)22/h1-6,23H,7H2,(H,20,22)
InChIKey
JCTRZHRQZRMUNS-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.97263 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.97991 175.4
[M+Na]+ 391.96185 187.1
[M-H]- 367.96535 178.4
[M+NH4]+ 387.00645 191.6
[M+K]+ 407.93579 178.7
[M+H-H2O]+ 351.96989 171.1
[M+HCOO]- 413.97083 179.0
[M+CH3COO]- 427.98648 185.5
[M+Na-2H]- 389.94730 175.6
[M]+ 368.97208 178.5
[M]- 368.97318 178.5
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.