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 141.8
[M+Na]+ 251.01264 152.0
[M-H]- 227.01614 144.4
[M+NH4]+ 246.05724 161.6
[M+K]+ 266.98658 151.0
[M+H-H2O]+ 211.02068 136.2
[M+HCOO]- 273.02162 160.0
[M+CH3COO]- 287.03727 183.8
[M+Na-2H]- 248.99809 148.2
[M]+ 228.02287 142.2
[M]- 228.02397 142.2
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