CID 263759

Nsc98429

Structural Information

Molecular Formula
C38H28Cl2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC(=C3)C4=CC(=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)Cl)Cl
InChI
InChI=1S/C38H28Cl2/c39-37(31-17-5-1-6-18-31,32-19-7-2-8-20-32)35-25-13-15-29(27-35)30-16-14-26-36(28-30)38(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKey
XOFVIMWOGRNXIB-UHFFFAOYSA-N
Compound name
1-[chloro(diphenyl)methyl]-3-[3-[chloro(diphenyl)methyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

554.1568 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.16408 240.5
[M+Na]+ 577.14602 245.0
[M-H]- 553.14952 254.4
[M+NH4]+ 572.19062 243.6
[M+K]+ 593.11996 233.6
[M+H-H2O]+ 537.15406 225.6
[M+HCOO]- 599.15500 247.1
[M+CH3COO]- 613.17065 245.2
[M+Na-2H]- 575.13147 242.3
[M]+ 554.15625 240.0
[M]- 554.15735 240.0
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

patents stripe