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

12
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

literature stripe

Patent stripe

patents stripe