CID 70043

836-43-1

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CO
InChI
InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey
OEBIVOHKFYSBPE-UHFFFAOYSA-N
Compound name
(4-phenylmethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5269
Patents

214.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 146.6
[M+Na]+ 237.088598 153.7
[M-H]- 213.092104 151.9
[M+NH4]+ 232.133203 164.3
[M+K]+ 253.062538 149.9
[M+H-H2O]+ 197.096640 139.5
[M+HCOO]- 259.097581 169.9
[M+CH3COO]- 273.113231 184.6
[M+Na-2H]- 235.074046 153.5
[M]+ 214.09883142 147.0
[M]- 214.09992858 147.0
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