CID 71313057

241825-88-7

Structural Information

Molecular Formula
C15H8BrNO3
SMILES
C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC(=O)C2=O
InChI
InChI=1S/C15H8BrNO3/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11-12(10)17-15(20)14(11)19/h1-7H,(H,17,19,20)
InChIKey
OKYHDBOEDYARAM-UHFFFAOYSA-N
Compound name
7-(4-bromobenzoyl)-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.96875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.97603 166.0
[M+Na]+ 351.95797 178.3
[M-H]- 327.96147 174.2
[M+NH4]+ 347.00257 184.4
[M+K]+ 367.93191 165.8
[M+H-H2O]+ 311.96601 165.5
[M+HCOO]- 373.96695 184.1
[M+CH3COO]- 387.98260 201.5
[M+Na-2H]- 349.94342 169.4
[M]+ 328.96820 184.0
[M]- 328.96930 184.0
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