CID 165588258

5-bromo-1-nitroso-1h,2h,3h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1CN(C2=C1C=C(C=N2)Br)N=O
InChI
InChI=1S/C7H6BrN3O/c8-6-3-5-1-2-11(10-12)7(5)9-4-6/h3-4H,1-2H2
InChIKey
OARFORNAAXJGNX-UHFFFAOYSA-N
Compound name
5-bromo-1-nitroso-2,3-dihydropyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 136.7
[M+Na]+ 249.95864 150.0
[M-H]- 225.96214 143.0
[M+NH4]+ 245.00324 159.2
[M+K]+ 265.93258 140.0
[M+H-H2O]+ 209.96668 135.7
[M+HCOO]- 271.96762 159.1
[M+CH3COO]- 285.98327 189.3
[M+Na-2H]- 247.94409 146.0
[M]+ 226.96887 156.3
[M]- 226.96997 156.3
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.