CID 75176205

3,3-dibromo-6-chloro-1h,2h,3h-pyrrolo[3,2-c]pyridin-2-one

Structural Information

Molecular Formula
C7H3Br2ClN2O
SMILES
C1=C2C(=CN=C1Cl)C(C(=O)N2)(Br)Br
InChI
InChI=1S/C7H3Br2ClN2O/c8-7(9)3-2-11-5(10)1-4(3)12-6(7)13/h1-2H,(H,12,13)
InChIKey
LMCXRDMVCSMMBO-UHFFFAOYSA-N
Compound name
3,3-dibromo-6-chloro-1H-pyrrolo[3,2-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

323.83008 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.83736 139.6
[M+Na]+ 346.81930 154.1
[M-H]- 322.82280 144.9
[M+NH4]+ 341.86390 160.4
[M+K]+ 362.79324 137.2
[M+H-H2O]+ 306.82734 149.4
[M+HCOO]- 368.82828 150.1
[M+CH3COO]- 382.84393 154.2
[M+Na-2H]- 344.80475 147.6
[M]+ 323.82953 174.4
[M]- 323.83063 174.4
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