CID 137698640

6-bromo-5,7-difluoro-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H4BrF2NO
SMILES
C1C2=CC(=C(C(=C2NC1=O)F)Br)F
InChI
InChI=1S/C8H4BrF2NO/c9-6-4(10)1-3-2-5(13)12-8(3)7(6)11/h1H,2H2,(H,12,13)
InChIKey
JAEULDPDKNQAAC-UHFFFAOYSA-N
Compound name
6-bromo-5,7-difluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.94443 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95171 144.0
[M+Na]+ 269.93365 158.7
[M-H]- 245.93715 147.1
[M+NH4]+ 264.97825 166.4
[M+K]+ 285.90759 146.1
[M+H-H2O]+ 229.94169 143.3
[M+HCOO]- 291.94263 161.3
[M+CH3COO]- 305.95828 187.5
[M+Na-2H]- 267.91910 148.6
[M]+ 246.94388 159.1
[M]- 246.94498 159.1
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.