CID 656691

1,2-bis(4-hydroxyphenyl)-2-propanol

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(CC1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H16O3/c1-15(18,12-4-8-14(17)9-5-12)10-11-2-6-13(16)7-3-11/h2-9,16-18H,10H2,1H3
InChIKey
ODPHPWGPPAECAJ-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(4-hydroxyphenyl)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

18
Patents

244.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 155.1
[M+Na]+ 267.09916 162.1
[M-H]- 243.10266 158.2
[M+NH4]+ 262.14376 170.6
[M+K]+ 283.07310 157.6
[M+H-H2O]+ 227.10720 149.0
[M+HCOO]- 289.10814 173.7
[M+CH3COO]- 303.12379 186.4
[M+Na-2H]- 265.08461 160.7
[M]+ 244.10939 153.6
[M]- 244.11049 153.6
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

No patent data available for this compound.