CID 10470993

91713-91-6

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
C1C2=C(C(=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC1=O
InChI
InChI=1S/C15H10BrNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)
InChIKey
JDSPXIPYMUGSIJ-UHFFFAOYSA-N
Compound name
7-(4-bromobenzoyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

314.9895 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 165.2
[M+Na]+ 337.97872 176.7
[M-H]- 313.98222 173.0
[M+NH4]+ 333.02332 184.1
[M+K]+ 353.95266 164.1
[M+H-H2O]+ 297.98676 164.6
[M+HCOO]- 359.98770 183.0
[M+CH3COO]- 374.00335 178.6
[M+Na-2H]- 335.96417 169.0
[M]+ 314.98895 182.1
[M]- 314.99005 182.1
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