CID 61356791

1293211-83-2

Structural Information

Molecular Formula
C12H8F2N2O2
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)N2CCCC#N)F)F
InChI
InChI=1S/C12H8F2N2O2/c13-7-5-8-10(9(14)6-7)16(4-2-1-3-15)12(18)11(8)17/h5-6H,1-2,4H2
InChIKey
KPSUAJXRDMMJDM-UHFFFAOYSA-N
Compound name
4-(5,7-difluoro-2,3-dioxoindol-1-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05539 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.062666 147.1
[M+Na]+ 273.044608 160.2
[M-H]- 249.048114 147.8
[M+NH4]+ 268.089213 164.4
[M+K]+ 289.018548 154.4
[M+H-H2O]+ 233.052650 133.0
[M+HCOO]- 295.053591 163.9
[M+CH3COO]- 309.069241 206.3
[M+Na-2H]- 271.030056 149.0
[M]+ 250.05484142 142.5
[M]- 250.05593858 142.5
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.