CID 611786

4,4'-bis(hydroxymethyl)biphenyl

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC(=CC=C1CO)C2=CC=C(C=C2)CO
InChI
InChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChIKey
SFHGONLFTNHXDX-UHFFFAOYSA-N
Compound name
[4-[4-(hydroxymethyl)phenyl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1431
Patents

214.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 146.7
[M+Na]+ 237.088598 154.3
[M-H]- 213.092104 151.1
[M+NH4]+ 232.133203 164.1
[M+K]+ 253.062538 149.7
[M+H-H2O]+ 197.096640 140.2
[M+HCOO]- 259.097581 168.6
[M+CH3COO]- 273.113231 183.3
[M+Na-2H]- 235.074046 152.5
[M]+ 214.09883142 145.7
[M]- 214.09992858 145.7
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