CID 167830

Brn 2107940

Structural Information

Molecular Formula
C17H18Cl2
SMILES
CC(C)(C)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18Cl2/c1-17(2,3)16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16H,1-3H3
InChIKey
RGTVOBGKRIUBJX-UHFFFAOYSA-N
Compound name
1-chloro-4-[1-(4-chlorophenyl)-2,2-dimethylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.07855 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08583 165.4
[M+Na]+ 315.06777 174.1
[M-H]- 291.07127 171.3
[M+NH4]+ 310.11237 182.5
[M+K]+ 331.04171 167.2
[M+H-H2O]+ 275.07581 159.8
[M+HCOO]- 337.07675 176.5
[M+CH3COO]- 351.09240 202.0
[M+Na-2H]- 313.05322 168.6
[M]+ 292.07800 168.7
[M]- 292.07910 168.7
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