CID 252343

38058-86-5

Structural Information

Molecular Formula
C16H16Cl2
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)CCl)CCl
InChI
InChI=1S/C16H16Cl2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2,11-12H2
InChIKey
CHSOWRCULULXEF-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-[2-[4-(chloromethyl)phenyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

278.0629 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.070176 161.4
[M+Na]+ 301.052118 170.3
[M-H]- 277.055624 166.8
[M+NH4]+ 296.096723 178.9
[M+K]+ 317.026058 162.7
[M+H-H2O]+ 261.060160 155.3
[M+HCOO]- 323.061101 175.3
[M+CH3COO]- 337.076751 198.6
[M+Na-2H]- 299.037566 165.6
[M]+ 278.06235142 165.3
[M]- 278.06344858 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe