CID 366688

Nsc635405

Structural Information

Molecular Formula
C16H9Br2Cl2NO3
SMILES
C1=CC(=C(C=C1Br)Br)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O
InChI
InChI=1S/C16H9Br2Cl2NO3/c17-7-1-2-9(11(18)3-7)13(22)6-16(24)10-4-8(19)5-12(20)14(10)21-15(16)23/h1-5,24H,6H2,(H,21,23)
InChIKey
SGEQJPGMZJHPIN-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-[2-(2,4-dibromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.8326 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.83988 177.7
[M+Na]+ 513.82182 191.1
[M-H]- 489.82532 184.9
[M+NH4]+ 508.86642 194.0
[M+K]+ 529.79576 172.9
[M+H-H2O]+ 473.82986 187.2
[M+HCOO]- 535.83080 182.0
[M+CH3COO]- 549.84645 189.5
[M+Na-2H]- 511.80727 179.9
[M]+ 490.83205 213.7
[M]- 490.83315 213.7
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.