CID 117206058

1447816-61-6

Structural Information

Molecular Formula
C15H12BrNO
SMILES
C1C2=C(C(=CC=C2)Br)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C15H12BrNO/c16-13-8-4-7-12-9-14(18)17(15(12)13)10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey
YKIDTDRQOGVDFL-UHFFFAOYSA-N
Compound name
1-benzyl-7-bromo-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.01022 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.01750 162.7
[M+Na]+ 323.99944 167.8
[M+NH4]+ 319.04404 168.3
[M+K]+ 339.97338 167.0
[M-H]- 300.00294 165.3
[M+Na-2H]- 321.98489 167.0
[M]+ 301.00967 163.0
[M]- 301.01077 163.0
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

No patent data available for this compound.