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]+ 300.99712 159.8
[M+Na]+ 322.97906 171.9
[M-H]- 298.98256 169.0
[M+NH4]+ 318.02366 179.9
[M+K]+ 338.95300 159.0
[M+H-H2O]+ 282.98710 158.6
[M+HCOO]- 344.98804 181.2
[M+CH3COO]- 359.00369 174.1
[M+Na-2H]- 320.96451 166.3
[M]+ 299.98929 176.7
[M]- 299.99039 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.