CID 167724720

5-(2,6-dichlorophenyl)-4-methylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C12H8Cl2O3
SMILES
CC1=C(OC(=C1)C(=O)O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H8Cl2O3/c1-6-5-9(12(15)16)17-11(6)10-7(13)3-2-4-8(10)14/h2-5H,1H3,(H,15,16)
InChIKey
NNPURMOMTTUDEH-UHFFFAOYSA-N
Compound name
5-(2,6-dichlorophenyl)-4-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98505 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99233 153.6
[M+Na]+ 292.97427 168.8
[M+NH4]+ 288.01887 162.0
[M+K]+ 308.94821 163.9
[M-H]- 268.97777 157.7
[M+Na-2H]- 290.95972 160.2
[M]+ 269.98450 157.6
[M]- 269.98560 157.6
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

No patent data available for this compound.