CID 14651989

126674-93-9

Structural Information

Molecular Formula
C8H3F2NO2
SMILES
C1=C(C=C(C2=C1NC(=O)C2=O)F)F
InChI
InChI=1S/C8H3F2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
InChIKey
YIVXDNUTNIKQMY-UHFFFAOYSA-N
Compound name
4,6-difluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

183.01318 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02046 130.0
[M+Na]+ 206.00240 142.1
[M-H]- 182.00590 130.5
[M+NH4]+ 201.04700 151.4
[M+K]+ 221.97634 137.9
[M+H-H2O]+ 166.01044 123.3
[M+HCOO]- 228.01138 150.0
[M+CH3COO]- 242.02703 178.5
[M+Na-2H]- 203.98785 134.1
[M]+ 183.01263 127.2
[M]- 183.01373 127.2
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

patents stripe