CID 102723

1943-96-0

Structural Information

Molecular Formula
C19H20O2
SMILES
C1CC2CC1CC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H20O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h3-10,13,16,20-21H,1-2,11-12H2
InChIKey
RBWZNZOIVJUVRB-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1636
Patents

280.14633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 166.1
[M+Na]+ 303.13555 178.3
[M+NH4]+ 298.18015 177.4
[M+K]+ 319.10949 172.1
[M-H]- 279.13905 170.9
[M+Na-2H]- 301.12100 173.2
[M]+ 280.14578 169.4
[M]- 280.14688 169.4
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