CID 4588897

2,3,4,5,6-pentachlorotriphenylmethanol

Structural Information

Molecular Formula
C19H11Cl5O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C19H11Cl5O/c20-14-13(15(21)17(23)18(24)16(14)22)19(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,25H
InChIKey
PCBLIARMTMXZLE-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.92526 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.93254 190.4
[M+Na]+ 452.91448 200.0
[M-H]- 428.91798 193.1
[M+NH4]+ 447.95908 200.5
[M+K]+ 468.88842 192.5
[M+H-H2O]+ 412.92252 184.6
[M+HCOO]- 474.92346 185.3
[M+CH3COO]- 488.93911 197.5
[M+Na-2H]- 450.89993 189.3
[M]+ 429.92471 191.9
[M]- 429.92581 191.9
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.