CID 72214764

1393555-72-0

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C1C2=CN=C(C=C2C(=O)N1)Cl
InChI
InChI=1S/C7H5ClN2O/c8-6-1-5-4(2-9-6)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChIKey
HLUIGGTZXHKGKJ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

168.00903 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 130.7
[M+Na]+ 190.99825 141.8
[M-H]- 167.00175 131.5
[M+NH4]+ 186.04285 151.8
[M+K]+ 206.97219 137.0
[M+H-H2O]+ 151.00629 124.9
[M+HCOO]- 213.00723 146.7
[M+CH3COO]- 227.02288 144.3
[M+Na-2H]- 188.98370 137.0
[M]+ 168.00848 130.4
[M]- 168.00958 130.4
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

patents stripe