CID 3043321

55405-20-4

Structural Information

Molecular Formula
C12H16Cl4N2
SMILES
CN(C)CC1=C(C(=C(C(=C1Cl)Cl)CN(C)C)Cl)Cl
InChI
InChI=1S/C12H16Cl4N2/c1-17(2)5-7-9(13)11(15)8(6-18(3)4)12(16)10(7)14/h5-6H2,1-4H3
InChIKey
WOPJBQNVKJQYOE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[2,3,5,6-tetrachloro-4-[(dimethylamino)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.00674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.014016 172.5
[M+Na]+ 350.995958 182.0
[M-H]- 326.999464 175.6
[M+NH4]+ 346.040563 189.1
[M+K]+ 366.969898 177.2
[M+H-H2O]+ 311.004000 169.1
[M+HCOO]- 373.004941 178.0
[M+CH3COO]- 387.020591 220.3
[M+Na-2H]- 348.981406 170.6
[M]+ 328.00619142 178.3
[M]- 328.00728858 178.3
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.