CID 367024

Nsc636351

Structural Information

Molecular Formula
C14H10FN3O2
SMILES
CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H10FN3O2/c1-14(8-2-4-9(15)5-3-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20)
InChIKey
CXCPZHNDBRGVNP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0757 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08298 165.0
[M+Na]+ 294.06492 176.1
[M-H]- 270.06842 167.5
[M+NH4]+ 289.10952 175.8
[M+K]+ 310.03886 169.4
[M+H-H2O]+ 254.07296 149.2
[M+HCOO]- 316.07390 173.5
[M+CH3COO]- 330.08955 223.7
[M+Na-2H]- 292.05037 164.9
[M]+ 271.07515 154.1
[M]- 271.07625 154.1
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.