CID 129873

Mitometh

Structural Information

Molecular Formula
C15H12Cl4
SMILES
CC(C(C1=CC=C(C=C1)Cl)C2=CC=CC=C2Cl)(Cl)Cl
InChI
InChI=1S/C15H12Cl4/c1-15(18,19)14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKey
MOTIYCLHZZLHHQ-UHFFFAOYSA-N
Compound name
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1
Patents

331.9693 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.97658 169.0
[M+Na]+ 354.95852 177.8
[M-H]- 330.96202 171.9
[M+NH4]+ 350.00312 183.8
[M+K]+ 370.93246 170.4
[M+H-H2O]+ 314.96656 164.3
[M+HCOO]- 376.96750 169.7
[M+CH3COO]- 390.98315 207.2
[M+Na-2H]- 352.94397 170.6
[M]+ 331.96875 171.1
[M]- 331.96985 171.1
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