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

literature stripe

Patent stripe

patents stripe