CID 2392335

1-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
CC1=CC(=C(C=C1Cl)OC)N2C(=O)C=CC2=O
InChI
InChI=1S/C12H10ClNO3/c1-7-5-9(10(17-2)6-8(7)13)14-11(15)3-4-12(14)16/h3-6H,1-2H3
InChIKey
MLCLPRDEYYUNCY-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methoxy-5-methylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 150.6
[M+Na]+ 274.02415 162.7
[M-H]- 250.02765 157.2
[M+NH4]+ 269.06875 169.8
[M+K]+ 289.99809 158.2
[M+H-H2O]+ 234.03219 144.7
[M+HCOO]- 296.03313 170.0
[M+CH3COO]- 310.04878 193.0
[M+Na-2H]- 272.00960 152.3
[M]+ 251.03438 155.7
[M]- 251.03548 155.7
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.