CID 22392927

2-(3,5-difluorophenyl)-2-methoxyacetic acid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC(C1=CC(=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C9H8F2O3/c1-14-8(9(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,12,13)
InChIKey
ZGAAFRQSQHBMLM-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

202.04414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 137.0
[M+Na]+ 225.03336 145.6
[M-H]- 201.03686 137.2
[M+NH4]+ 220.07796 155.6
[M+K]+ 241.00730 143.9
[M+H-H2O]+ 185.04140 129.9
[M+HCOO]- 247.04234 156.8
[M+CH3COO]- 261.05799 183.4
[M+Na-2H]- 223.01881 139.7
[M]+ 202.04359 135.8
[M]- 202.04469 135.8
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