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]+ 227.976696 136.7
[M+Na]+ 249.958638 150.0
[M-H]- 225.962144 143.0
[M+NH4]+ 245.003243 159.2
[M+K]+ 265.932578 140.0
[M+H-H2O]+ 209.966680 135.7
[M+HCOO]- 271.967621 159.1
[M+CH3COO]- 285.983271 189.3
[M+Na-2H]- 247.944086 146.0
[M]+ 226.96887142 156.3
[M]- 226.96996858 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.