CID 118998058

1415580-09-4

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
C1C2=C(C(=C(C=C2)Br)F)NC1=O
InChI
InChI=1S/C8H5BrFNO/c9-5-2-1-4-3-6(12)11-8(4)7(5)10/h1-2H,3H2,(H,11,12)
InChIKey
YOBPUGUCOJXXIP-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.961136 140.6
[M+Na]+ 251.943078 154.4
[M-H]- 227.946584 144.7
[M+NH4]+ 246.987683 163.6
[M+K]+ 267.917018 142.3
[M+H-H2O]+ 211.951120 140.6
[M+HCOO]- 273.952061 159.0
[M+CH3COO]- 287.967711 183.8
[M+Na-2H]- 249.928526 146.6
[M]+ 228.95331142 156.4
[M]- 228.95440858 156.4
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