CID 4685385

4-tert-butyl-4'-chlorodiphenylmethane

Structural Information

Molecular Formula
C17H19Cl
SMILES
CC(C)(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H19Cl/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14/h4-11H,12H2,1-3H3
InChIKey
WHCVNWPTCBCRPD-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-[(4-chlorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11752 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12480 159.8
[M+Na]+ 281.10674 168.5
[M-H]- 257.11024 166.5
[M+NH4]+ 276.15134 178.0
[M+K]+ 297.08068 162.4
[M+H-H2O]+ 241.11478 153.6
[M+HCOO]- 303.11572 177.0
[M+CH3COO]- 317.13137 196.9
[M+Na-2H]- 279.09219 165.0
[M]+ 258.11697 162.4
[M]- 258.11807 162.4
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.