CID 5708417

387350-55-2

Structural Information

Molecular Formula
C10H6F2O4
SMILES
C1=CC2=C(C=C1/C=C/C(=O)O)OC(O2)(F)F
InChI
InChI=1S/C10H6F2O4/c11-10(12)15-7-3-1-6(2-4-9(13)14)5-8(7)16-10/h1-5H,(H,13,14)/b4-2+
InChIKey
KODLBMVQFGJDOK-DUXPYHPUSA-N
Compound name
(E)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

228.02342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03070 148.7
[M+Na]+ 251.01264 158.2
[M+NH4]+ 246.05724 155.6
[M+K]+ 266.98658 154.1
[M-H]- 227.01614 148.2
[M+Na-2H]- 248.99809 151.1
[M]+ 228.02287 149.7
[M]- 228.02397 149.7
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