CID 16794671

5,7-difluoroindoline-2,3-dione

Structural Information

Molecular Formula
C8H3F2NO2
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)N2)F)F
InChI
InChI=1S/C8H3F2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey
LGOCJGRNNIZUBL-UHFFFAOYSA-N
Compound name
5,7-difluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

183.01318 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.020456 130.0
[M+Na]+ 206.002398 142.1
[M-H]- 182.005904 130.5
[M+NH4]+ 201.047003 151.4
[M+K]+ 221.976338 137.9
[M+H-H2O]+ 166.010440 123.3
[M+HCOO]- 228.011381 150.0
[M+CH3COO]- 242.027031 178.5
[M+Na-2H]- 203.987846 134.1
[M]+ 183.01263142 127.2
[M]- 183.01372858 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

literature stripe

Patent stripe

patents stripe