CID 74275

1667-10-3

Structural Information

Molecular Formula
C14H12Cl2
SMILES
C1=CC(=CC=C1CCl)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey
INZDTEICWPZYJM-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

14696
Patents

250.0316 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03888 152.1
[M+Na]+ 273.02082 161.8
[M-H]- 249.02432 157.9
[M+NH4]+ 268.06542 170.7
[M+K]+ 288.99476 154.7
[M+H-H2O]+ 233.02886 146.4
[M+HCOO]- 295.02980 166.6
[M+CH3COO]- 309.04545 164.9
[M+Na-2H]- 271.00627 157.4
[M]+ 250.03105 155.3
[M]- 250.03215 155.3
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