CID 754763

24856-00-6

Structural Information

Molecular Formula
C11H6BrNO
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)Br
InChI
InChI=1S/C11H6BrNO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)
InChIKey
AWNRAAVXFSTMQS-UHFFFAOYSA-N
Compound name
6-bromo-1H-benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

246.96329 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97057 146.9
[M+Na]+ 269.95251 160.6
[M-H]- 245.95601 152.5
[M+NH4]+ 264.99711 170.4
[M+K]+ 285.92645 148.3
[M+H-H2O]+ 229.96055 147.7
[M+HCOO]- 291.96149 165.3
[M+CH3COO]- 305.97714 162.1
[M+Na-2H]- 267.93796 155.0
[M]+ 246.96274 165.5
[M]- 246.96384 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe