CID 28740318

2,2-difluoro-2-(4-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=CC=C(C=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C9H8F2O3/c1-14-7-4-2-6(3-5-7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13)
InChIKey
AVTZQAFEAUPCKL-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

202.04414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 137.4
[M+Na]+ 225.033358 145.8
[M-H]- 201.036864 137.5
[M+NH4]+ 220.077963 155.8
[M+K]+ 241.007298 144.0
[M+H-H2O]+ 185.041400 130.6
[M+HCOO]- 247.042341 156.7
[M+CH3COO]- 261.057991 181.6
[M+Na-2H]- 223.018806 142.8
[M]+ 202.04359142 136.0
[M]- 202.04468858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe