CID 5745254

Brn 1009116

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
CC1(C/C(=C\2/COC(=O)C2=O)/NN1C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C15H15ClN2O3/c1-15(2)7-12(11-8-21-14(20)13(11)19)17-18(15)10-5-3-9(16)4-6-10/h3-6,17H,7-8H2,1-2H3/b12-11+
InChIKey
VQVQDFSJQVUQJE-VAWYXSNFSA-N
Compound name
(4E)-4-[1-(4-chlorophenyl)-5,5-dimethylpyrazolidin-3-ylidene]oxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08440 167.3
[M+Na]+ 329.06634 179.2
[M+NH4]+ 324.11094 175.2
[M+K]+ 345.04028 175.3
[M-H]- 305.06984 170.8
[M+Na-2H]- 327.05179 172.5
[M]+ 306.07657 170.1
[M]- 306.07767 170.1
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.