CID 366633

Nsc635308

Structural Information

Molecular Formula
C16H10BrCl2NO3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O
InChI
InChI=1S/C16H10BrCl2NO3/c17-8-1-4-13-11(5-8)16(23,15(22)20-13)7-14(21)10-3-2-9(18)6-12(10)19/h1-6,23H,7H2,(H,20,22)
InChIKey
RHDRCSYJNPGLJU-UHFFFAOYSA-N
Compound name
5-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.92212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.92940 178.4
[M+Na]+ 435.91134 193.0
[M-H]- 411.91484 185.1
[M+NH4]+ 430.95594 196.7
[M+K]+ 451.88528 177.5
[M+H-H2O]+ 395.91938 179.9
[M+HCOO]- 457.92032 185.7
[M+CH3COO]- 471.93597 191.0
[M+Na-2H]- 433.89679 180.9
[M]+ 412.92157 199.6
[M]- 412.92267 199.6
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.