CID 165993681

2-{6-bromo-1h-pyrrolo[3,2-b]pyridin-1-yl}acetic acid

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1=CN(C2=C1N=CC(=C2)Br)CC(=O)O
InChI
InChI=1S/C9H7BrN2O2/c10-6-3-8-7(11-4-6)1-2-12(8)5-9(13)14/h1-4H,5H2,(H,13,14)
InChIKey
GZHLTXUBXUJVFO-UHFFFAOYSA-N
Compound name
2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 148.2
[M+Na]+ 276.95831 151.7
[M+NH4]+ 272.00291 152.1
[M+K]+ 292.93225 153.7
[M-H]- 252.96181 147.0
[M+Na-2H]- 274.94376 150.4
[M]+ 253.96854 147.0
[M]- 253.96964 147.0
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.