CID 52376

Nsc 222507

Structural Information

Molecular Formula
C14H21Cl2NO2
SMILES
CCCCCCCC(C(CN1C(=O)C=CC1=O)Cl)Cl
InChI
InChI=1S/C14H21Cl2NO2/c1-2-3-4-5-6-7-11(15)12(16)10-17-13(18)8-9-14(17)19/h8-9,11-12H,2-7,10H2,1H3
InChIKey
MMEASYJQPYXMQC-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorodecyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09494 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10222 171.3
[M+Na]+ 328.08416 178.4
[M-H]- 304.08766 172.1
[M+NH4]+ 323.12876 188.1
[M+K]+ 344.05810 172.6
[M+H-H2O]+ 288.09220 165.7
[M+HCOO]- 350.09314 181.2
[M+CH3COO]- 364.10879 203.7
[M+Na-2H]- 326.06961 168.5
[M]+ 305.09439 176.4
[M]- 305.09549 176.4
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.