CID 4170779

Tris-(3-methoxy-phenyl)-methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.