CID 72213634

4,6-dichloro-1,3-dihydro-2h-pyrrolo[3,2-c]pyridin-2-one

Structural Information

Molecular Formula
C7H4Cl2N2O
SMILES
C1C2=C(N=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2O/c8-5-2-4-3(7(9)11-5)1-6(12)10-4/h2H,1H2,(H,10,12)
InChIKey
VQDZDOYUQMWZJX-UHFFFAOYSA-N
Compound name
4,6-dichloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97006 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97734 137.2
[M+Na]+ 224.95928 149.3
[M-H]- 200.96278 137.5
[M+NH4]+ 220.00388 157.4
[M+K]+ 240.93322 143.3
[M+H-H2O]+ 184.96732 132.0
[M+HCOO]- 246.96826 147.9
[M+CH3COO]- 260.98391 150.2
[M+Na-2H]- 222.94473 141.8
[M]+ 201.96951 138.1
[M]- 201.97061 138.1
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.