CID 79604024

4-bromo-7-chloro-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H5BrClNO
SMILES
C1C2=C(C=CC(=C2NC1=O)Cl)Br
InChI
InChI=1S/C8H5BrClNO/c9-5-1-2-6(10)8-4(5)3-7(12)11-8/h1-2H,3H2,(H,11,12)
InChIKey
XIFTVVBPHKXVIO-UHFFFAOYSA-N
Compound name
4-bromo-7-chloro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.9243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.93158 142.7
[M+Na]+ 267.91352 157.6
[M-H]- 243.91702 147.9
[M+NH4]+ 262.95812 166.0
[M+K]+ 283.88746 144.0
[M+H-H2O]+ 227.92156 144.2
[M+HCOO]- 289.92250 157.7
[M+CH3COO]- 303.93815 158.2
[M+Na-2H]- 265.89897 149.0
[M]+ 244.92375 161.3
[M]- 244.92485 161.3
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.