CID 17750072

2-(6-chloropyridin-2-yl)acetic acid

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=NC(=C1)Cl)CC(=O)O
InChI
InChI=1S/C7H6ClNO2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
VXIZNALVARXJBD-UHFFFAOYSA-N
Compound name
2-(6-chloropyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

171.00871 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 129.5
[M+Na]+ 193.99793 139.1
[M-H]- 170.00143 130.8
[M+NH4]+ 189.04253 148.9
[M+K]+ 209.97187 135.6
[M+H-H2O]+ 154.00597 124.5
[M+HCOO]- 216.00691 147.1
[M+CH3COO]- 230.02256 174.2
[M+Na-2H]- 191.98338 136.1
[M]+ 171.00816 131.2
[M]- 171.00926 131.2
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

patents stripe