CID 112951

Carbonic acid, diphenylmethyl 2,4,5-trichlorophenyl ester

Structural Information

Molecular Formula
C20H13Cl3O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)OC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C20H13Cl3O3/c21-15-11-17(23)18(12-16(15)22)25-20(24)26-19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H
InChIKey
LZILCERLJHYHPW-UHFFFAOYSA-N
Compound name
benzhydryl (2,4,5-trichlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.99304 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.00032 185.8
[M+Na]+ 428.98226 194.7
[M-H]- 404.98576 193.6
[M+NH4]+ 424.02686 197.8
[M+K]+ 444.95620 187.9
[M+H-H2O]+ 388.99030 178.6
[M+HCOO]- 450.99124 193.3
[M+CH3COO]- 465.00689 195.7
[M+Na-2H]- 426.96771 186.5
[M]+ 405.99249 192.2
[M]- 405.99359 192.2
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.