CID 76380

Tris(4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C22H22O4
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C22H22O4/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15,23H,1-3H3
InChIKey
JCLOLVVCZNYDIP-UHFFFAOYSA-N
Compound name
tris(4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

350.1518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 184.1
[M+Na]+ 373.14102 190.7
[M-H]- 349.14452 192.6
[M+NH4]+ 368.18562 196.1
[M+K]+ 389.11496 186.8
[M+H-H2O]+ 333.14906 174.8
[M+HCOO]- 395.15000 204.6
[M+CH3COO]- 409.16565 211.5
[M+Na-2H]- 371.12647 188.6
[M]+ 350.15125 187.6
[M]- 350.15235 187.6
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