CID 3499772

5-bromo-2-methoxytriphenylmethanol

Structural Information

Molecular Formula
C20H17BrO2
SMILES
COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H17BrO2/c1-23-19-13-12-17(21)14-18(19)20(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,22H,1H3
InChIKey
ZAAFSUAFYVKKBX-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxyphenyl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0412 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04848 181.3
[M+Na]+ 391.03042 190.6
[M-H]- 367.03392 191.7
[M+NH4]+ 386.07502 196.3
[M+K]+ 407.00436 178.2
[M+H-H2O]+ 351.03846 179.6
[M+HCOO]- 413.03940 199.6
[M+CH3COO]- 427.05505 208.8
[M+Na-2H]- 389.01587 187.7
[M]+ 368.04065 199.4
[M]- 368.04175 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.