CID 54836

82158-25-6

Structural Information

Molecular Formula
C16H13ClO2
SMILES
CC1=C(OC2=CC=CC=C12)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H13ClO2/c1-10-13-4-2-3-5-14(13)19-16(10)15(18)11-6-8-12(17)9-7-11/h2-9,15,18H,1H3
InChIKey
UQMOUHJLYOWVID-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.0604 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06768 159.6
[M+Na]+ 295.04962 170.7
[M-H]- 271.05312 167.6
[M+NH4]+ 290.09422 178.1
[M+K]+ 311.02356 165.6
[M+H-H2O]+ 255.05766 154.1
[M+HCOO]- 317.05860 177.7
[M+CH3COO]- 331.07425 173.2
[M+Na-2H]- 293.03507 164.3
[M]+ 272.05985 164.9
[M]- 272.06095 164.9
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