CID 84721526

2,2-difluoro-2-(3-methoxypyridin-2-yl)acetic acid

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
COC1=C(N=CC=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C8H7F2NO3/c1-14-5-3-2-4-11-6(5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
InChIKey
NKYKIORINXXZON-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-methoxypyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0394 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04668 137.4
[M+Na]+ 226.02862 146.2
[M-H]- 202.03212 136.2
[M+NH4]+ 221.07322 154.4
[M+K]+ 242.00256 144.5
[M+H-H2O]+ 186.03666 129.8
[M+HCOO]- 248.03760 155.7
[M+CH3COO]- 262.05325 181.3
[M+Na-2H]- 224.01407 143.4
[M]+ 203.03885 136.1
[M]- 203.03995 136.1
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.