CID 70044

2,4'-bisphenol a

Structural Information

Molecular Formula
C15H16O2
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=CC=C2O
InChI
InChI=1S/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3
InChIKey
MLCQXUZZAXKTSG-UHFFFAOYSA-N
Compound name
2-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1589
Patents

228.11504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.3
[M+Na]+ 251.104258 158.9
[M-H]- 227.107764 155.9
[M+NH4]+ 246.148863 168.3
[M+K]+ 267.078198 154.7
[M+H-H2O]+ 211.112300 145.2
[M+HCOO]- 273.113241 171.3
[M+CH3COO]- 287.128891 186.7
[M+Na-2H]- 249.089706 157.3
[M]+ 228.11449142 150.3
[M]- 228.11558858 150.3
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