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]+ 307.084396 169.1
[M+Na]+ 329.066338 178.9
[M-H]- 305.069844 176.2
[M+NH4]+ 324.110943 185.8
[M+K]+ 345.040278 173.6
[M+H-H2O]+ 289.074380 162.7
[M+HCOO]- 351.075321 181.8
[M+CH3COO]- 365.090971 180.6
[M+Na-2H]- 327.051786 167.1
[M]+ 306.07657142 168.0
[M]- 306.07766858 168.0
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.