CID 3067858

Brn 5435126

Structural Information

Molecular Formula
C16H14O2
SMILES
CC1=CC=CC=C1C(C2=CC3=CC=CC=C3O2)O
InChI
InChI=1S/C16H14O2/c1-11-6-2-4-8-13(11)16(17)15-10-12-7-3-5-9-14(12)18-15/h2-10,16-17H,1H3
InChIKey
OUQHVCOFXUKHNC-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 151.9
[M+Na]+ 261.08860 161.4
[M-H]- 237.09210 159.9
[M+NH4]+ 256.13320 170.6
[M+K]+ 277.06254 158.0
[M+H-H2O]+ 221.09664 145.7
[M+HCOO]- 283.09758 174.8
[M+CH3COO]- 297.11323 165.7
[M+Na-2H]- 259.07405 158.0
[M]+ 238.09883 154.6
[M]- 238.09993 154.6
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