CID 71314733

1-chloro-2-(ethoxydiphenylmethyl)benzene

Structural Information

Molecular Formula
C21H19ClO
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H19ClO/c1-2-23-21(17-11-5-3-6-12-17,18-13-7-4-8-14-18)19-15-9-10-16-20(19)22/h3-16H,2H2,1H3
InChIKey
QVLBDAGOVAFTIX-UHFFFAOYSA-N
Compound name
1-chloro-2-[ethoxy(diphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11246 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11974 176.9
[M+Na]+ 345.10168 184.0
[M-H]- 321.10518 185.8
[M+NH4]+ 340.14628 191.3
[M+K]+ 361.07562 177.0
[M+H-H2O]+ 305.10972 168.3
[M+HCOO]- 367.11066 194.1
[M+CH3COO]- 381.12631 187.9
[M+Na-2H]- 343.08713 182.8
[M]+ 322.11191 179.2
[M]- 322.11301 179.2
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.