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

29
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

No literature data available for this compound.

Patent stripe

patents stripe