CID 4064754

3-(2-difluoromethoxy-phenyl)-acrylic acid

Structural Information

Molecular Formula
C10H8F2O3
SMILES
C1=CC=C(C(=C1)C=CC(=O)O)OC(F)F
InChI
InChI=1S/C10H8F2O3/c11-10(12)15-8-4-2-1-3-7(8)5-6-9(13)14/h1-6,10H,(H,13,14)
InChIKey
KLWSPVZYBMMDBR-UHFFFAOYSA-N
Compound name
3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

214.04414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.051416 141.3
[M+Na]+ 237.033358 148.9
[M-H]- 213.036864 141.0
[M+NH4]+ 232.077963 159.1
[M+K]+ 253.007298 146.3
[M+H-H2O]+ 197.041400 133.8
[M+HCOO]- 259.042341 161.0
[M+CH3COO]- 273.057991 183.7
[M+Na-2H]- 235.018806 144.2
[M]+ 214.04359142 139.3
[M]- 214.04468858 139.3
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