CID 50987294

5,6-difluoro-7-nitro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H2F2N2O4
SMILES
C1=C2C(=C(C(=C1F)F)[N+](=O)[O-])NC(=O)C2=O
InChI
InChI=1S/C8H2F2N2O4/c9-3-1-2-5(11-8(14)7(2)13)6(4(3)10)12(15)16/h1H,(H,11,13,14)
InChIKey
GQCGUBSCJFKRMN-UHFFFAOYSA-N
Compound name
5,6-difluoro-7-nitro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.99826 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00554 137.8
[M+Na]+ 250.98748 148.9
[M-H]- 226.99098 138.5
[M+NH4]+ 246.03208 156.4
[M+K]+ 266.96142 141.0
[M+H-H2O]+ 210.99552 135.5
[M+HCOO]- 272.99646 158.8
[M+CH3COO]- 287.01211 180.8
[M+Na-2H]- 248.97293 143.3
[M]+ 227.99771 134.0
[M]- 227.99881 134.0
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.