CID 91825890

1788054-65-8

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1C2=CN=CC(=C2NC1=O)Br
InChI
InChI=1S/C7H5BrN2O/c8-5-3-9-2-4-1-6(11)10-7(4)5/h2-3H,1H2,(H,10,11)
InChIKey
XKVKKLSEUUNJLW-UHFFFAOYSA-N
Compound name
7-bromo-1,3-dihydropyrrolo[3,2-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95853 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 135.6
[M+Na]+ 234.94775 149.0
[M-H]- 210.95125 139.5
[M+NH4]+ 229.99235 157.8
[M+K]+ 250.92169 137.6
[M+H-H2O]+ 194.95579 135.8
[M+HCOO]- 256.95673 154.2
[M+CH3COO]- 270.97238 150.8
[M+Na-2H]- 232.93320 143.5
[M]+ 211.95798 152.4
[M]- 211.95908 152.4
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

No patent data available for this compound.