CID 720975

40313-65-3

Structural Information

Molecular Formula
C11H9ClO2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)CO
InChI
InChI=1S/C11H9ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-6,13H,7H2
InChIKey
PFIJYKYXECJDLO-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

208.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03639 141.6
[M+Na]+ 231.01833 151.8
[M-H]- 207.02183 148.2
[M+NH4]+ 226.06293 161.4
[M+K]+ 246.99227 148.0
[M+H-H2O]+ 191.02637 136.6
[M+HCOO]- 253.02731 161.2
[M+CH3COO]- 267.04296 180.4
[M+Na-2H]- 229.00378 147.2
[M]+ 208.02856 144.9
[M]- 208.02966 144.9
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