CID 49759005

2137787-99-4

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)CC(=O)O
InChI
InChI=1S/C9H7ClN2O2/c10-6-1-2-11-9-8(6)5(4-12-9)3-7(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKey
IZJVHSHRINPQTM-UHFFFAOYSA-N
Compound name
2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0196 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 140.1
[M+Na]+ 233.00882 153.7
[M+NH4]+ 228.05342 147.7
[M+K]+ 248.98276 149.6
[M-H]- 209.01232 139.8
[M+Na-2H]- 230.99427 145.5
[M]+ 210.01905 142.0
[M]- 210.02015 142.0
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.