CID 360306

Nsc622341

Structural Information

Molecular Formula
C11H7Cl2NO2
SMILES
CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C11H7Cl2NO2/c1-6-3-2-4-7(5-6)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3
InChIKey
RFPPQWGQWPTLDJ-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-(3-methylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98538 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99266 150.6
[M+Na]+ 277.97460 163.5
[M-H]- 253.97810 156.4
[M+NH4]+ 273.01920 170.0
[M+K]+ 293.94854 157.3
[M+H-H2O]+ 237.98264 145.3
[M+HCOO]- 299.98358 164.8
[M+CH3COO]- 313.99923 192.4
[M+Na-2H]- 275.96005 151.8
[M]+ 254.98483 154.8
[M]- 254.98593 154.8
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.