CID 76379

Tris(4-chlorophenyl)methanol

Structural Information

Molecular Formula
C19H13Cl3O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChIKey
BPFKTJMHOWDJKI-UHFFFAOYSA-N
Compound name
tris(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

52
Patents

362.0032 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01048 185.1
[M+Na]+ 384.99242 203.8
[M+NH4]+ 380.03702 194.9
[M+K]+ 400.96636 192.5
[M-H]- 360.99592 191.6
[M+Na-2H]- 382.97787 196.5
[M]+ 362.00265 191.0
[M]- 362.00375 191.0
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

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