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 175.0
[M-H]- 300.00294 171.8
[M+NH4]+ 319.04404 183.2
[M+K]+ 339.97338 162.8
[M+H-H2O]+ 284.00748 162.0
[M+HCOO]- 346.00842 182.7
[M+CH3COO]- 360.02407 177.1
[M+Na-2H]- 321.98489 168.1
[M]+ 301.00967 181.3
[M]- 301.01077 181.3
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.