CID 76733

3247-00-5

Structural Information

Molecular Formula
C22H22O
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O
InChI
InChI=1S/C22H22O/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
InChIKey
DNWQXZDDISHGRM-UHFFFAOYSA-N
Compound name
tris(4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

102
Patents

302.16705 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.174326 173.5
[M+Na]+ 325.156268 180.7
[M-H]- 301.159774 182.1
[M+NH4]+ 320.200873 187.8
[M+K]+ 341.130208 174.7
[M+H-H2O]+ 285.164310 165.2
[M+HCOO]- 347.165251 193.5
[M+CH3COO]- 361.180901 205.3
[M+Na-2H]- 323.141716 177.8
[M]+ 302.16650142 172.9
[M]- 302.16759858 172.9
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