CID 16788980

6-fluoro-5-nitro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H3FN2O4
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])F)NC(=O)C2=O
InChI
InChI=1S/C8H3FN2O4/c9-4-2-5-3(1-6(4)11(14)15)7(12)8(13)10-5/h1-2H,(H,10,12,13)
InChIKey
PUULBMGUQRBTGM-UHFFFAOYSA-N
Compound name
6-fluoro-5-nitro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

210.00769 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01497 135.9
[M+Na]+ 232.99691 146.1
[M-H]- 209.00041 137.6
[M+NH4]+ 228.04151 155.0
[M+K]+ 248.97085 138.7
[M+H-H2O]+ 193.00495 134.3
[M+HCOO]- 255.00589 158.0
[M+CH3COO]- 269.02154 176.7
[M+Na-2H]- 230.98236 142.5
[M]+ 210.00714 132.8
[M]- 210.00824 132.8
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