CID 6001344

(2e)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C10H8F2O3
SMILES
C1=CC=C(C(=C1)/C=C/C(=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)/b6-5+
InChIKey
KLWSPVZYBMMDBR-AATRIKPKSA-N
Compound name
(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

214.04414 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe