CID 720977

292644-30-5

Structural Information

Molecular Formula
C11H8Cl2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)CO
InChI
InChI=1S/C11H8Cl2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5,14H,6H2
InChIKey
GTXVKLIDWYHAAS-UHFFFAOYSA-N
Compound name
[5-(2,4-dichlorophenyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

241.99013 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.997406 148.6
[M+Na]+ 264.979348 159.9
[M-H]- 240.982854 154.7
[M+NH4]+ 260.023953 167.6
[M+K]+ 280.953288 154.7
[M+H-H2O]+ 224.987390 144.3
[M+HCOO]- 286.988331 162.8
[M+CH3COO]- 301.003981 162.3
[M+Na-2H]- 262.964796 152.6
[M]+ 241.98958142 153.3
[M]- 241.99067858 153.3
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