CID 703938

4-(difluoromethoxy)cinnamic acid

Structural Information

Molecular Formula
C10H8F2O3
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)OC(F)F
InChI
InChI=1S/C10H8F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-6,10H,(H,13,14)/b6-3+
InChIKey
OWLKYWTYLFJOGX-ZZXKWVIFSA-N
Compound name
(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

214.04414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05142 141.3
[M+Na]+ 237.03336 148.9
[M-H]- 213.03686 141.0
[M+NH4]+ 232.07796 159.1
[M+K]+ 253.00730 146.3
[M+H-H2O]+ 197.04140 133.8
[M+HCOO]- 259.04234 161.0
[M+CH3COO]- 273.05799 183.7
[M+Na-2H]- 235.01881 144.2
[M]+ 214.04359 139.3
[M]- 214.04469 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

literature stripe

Patent stripe

patents stripe