CID 62395382

2,2-difluoro-2-(2-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=CC=CC=C1C(C(=O)O)(F)F
InChI
InChI=1S/C9H8F2O3/c1-14-7-5-3-2-4-6(7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13)
InChIKey
ULFXSWWASZBBPE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

202.04414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 142.7
[M+Na]+ 225.03336 152.2
[M+NH4]+ 220.07796 148.3
[M+K]+ 241.00730 148.2
[M-H]- 201.03686 139.8
[M+Na-2H]- 223.01881 146.8
[M]+ 202.04359 142.9
[M]- 202.04469 142.9
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