CID 58618150

881386-01-2

Structural Information

Molecular Formula
C11H10Cl2N2O3
SMILES
C1CC(C(=O)N(C1)C2=CC=C(C=C2)[N+](=O)[O-])(Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2
InChIKey
KKVYXBZVPRSWHE-UHFFFAOYSA-N
Compound name
3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

288.00684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01412 158.7
[M+Na]+ 310.99606 166.2
[M-H]- 286.99956 162.8
[M+NH4]+ 306.04066 175.0
[M+K]+ 326.97000 157.7
[M+H-H2O]+ 271.00410 157.7
[M+HCOO]- 333.00504 170.1
[M+CH3COO]- 347.02069 190.5
[M+Na-2H]- 308.98151 164.1
[M]+ 288.00629 157.2
[M]- 288.00739 157.2
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