CID 3502862

2-chloro-4-tritylaniline

Structural Information

Molecular Formula
C25H20ClN
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=C(C=C4)N)Cl
InChI
InChI=1S/C25H20ClN/c26-23-18-22(16-17-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,27H2
InChIKey
JSVSFYWXXNKBJV-UHFFFAOYSA-N
Compound name
2-chloro-4-tritylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12842 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13570 190.8
[M+Na]+ 392.11764 197.5
[M-H]- 368.12114 202.0
[M+NH4]+ 387.16224 202.2
[M+K]+ 408.09158 188.4
[M+H-H2O]+ 352.12568 180.7
[M+HCOO]- 414.12662 207.8
[M+CH3COO]- 428.14227 200.4
[M+Na-2H]- 390.10309 195.7
[M]+ 369.12787 189.3
[M]- 369.12897 189.3
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.