CID 378298

Nsc660302

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=C(C=C1Cl)N)N2C(=O)C=CC2=O
InChI
InChI=1S/C10H7ClN2O2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5H,12H2
InChIKey
OCYVQKXREVKOQC-UHFFFAOYSA-N
Compound name
1-(2-amino-4-chlorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0196 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 144.8
[M+Na]+ 245.00882 156.1
[M-H]- 221.01232 150.8
[M+NH4]+ 240.05342 164.3
[M+K]+ 260.98276 151.0
[M+H-H2O]+ 205.01686 138.7
[M+HCOO]- 267.01780 165.1
[M+CH3COO]- 281.03345 187.9
[M+Na-2H]- 242.99427 147.5
[M]+ 222.01905 145.6
[M]- 222.02015 145.6
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.