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]+ 329.01402 172.5
[M+Na]+ 350.99596 182.0
[M-H]- 326.99946 175.6
[M+NH4]+ 346.04056 189.1
[M+K]+ 366.96990 177.2
[M+H-H2O]+ 311.00400 169.1
[M+HCOO]- 373.00494 178.0
[M+CH3COO]- 387.02059 220.3
[M+Na-2H]- 348.98141 170.6
[M]+ 328.00619 178.3
[M]- 328.00729 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.