CID 135411933

3-(4-bromo-phenylimino)-1,3-dihydro-indol-2-one

Structural Information

Molecular Formula
C14H9BrN2O
SMILES
C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)Br)C(=O)N2
InChI
InChI=1S/C14H9BrN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKey
MDVXHMPADQICQN-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)imino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

299.98984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.997116 159.8
[M+Na]+ 322.979058 171.9
[M-H]- 298.982564 169.0
[M+NH4]+ 318.023663 179.9
[M+K]+ 338.952998 159.0
[M+H-H2O]+ 282.987100 158.6
[M+HCOO]- 344.988041 181.2
[M+CH3COO]- 359.003691 174.1
[M+Na-2H]- 320.964506 166.3
[M]+ 299.98929142 176.7
[M]- 299.99038858 176.7
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