CID 17750666

886498-74-4

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=C(C=C(C=C1F)CC(=O)O)F
InChI
InChI=1S/C9H8F2O3/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
SEHCPLGBJGKJGK-UHFFFAOYSA-N
Compound name
2-(3,5-difluoro-4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

202.04414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 136.2
[M+Na]+ 225.033358 146.0
[M-H]- 201.036864 136.8
[M+NH4]+ 220.077963 155.2
[M+K]+ 241.007298 143.9
[M+H-H2O]+ 185.041400 129.3
[M+HCOO]- 247.042341 157.0
[M+CH3COO]- 261.057991 183.7
[M+Na-2H]- 223.018806 139.5
[M]+ 202.04359142 136.1
[M]- 202.04468858 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

patents stripe