CID 366668

Nsc635343

Structural Information

Molecular Formula
C16H11BrClNO3
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O)Cl
InChI
InChI=1S/C16H11BrClNO3/c17-10-3-6-13-12(7-10)16(22,15(21)19-13)8-14(20)9-1-4-11(18)5-2-9/h1-7,22H,8H2,(H,19,21)
InChIKey
TWKFMMBKYQZZLO-UHFFFAOYSA-N
Compound name
5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

378.9611 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.96838 175.6
[M+Na]+ 401.95032 188.8
[M-H]- 377.95382 182.6
[M+NH4]+ 396.99492 194.5
[M+K]+ 417.92426 174.3
[M+H-H2O]+ 361.95836 176.4
[M+HCOO]- 423.95930 187.6
[M+CH3COO]- 437.97495 188.4
[M+Na-2H]- 399.93577 179.0
[M]+ 378.96055 195.4
[M]- 378.96165 195.4
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

patents stripe