CID 3059596

76840-12-5

Structural Information

Molecular Formula
C6H3Cl5N2
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(N)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl5N2/c7-1-2(8)4(5(10)12)13-6(11)3(1)9/h5H,12H2
InChIKey
MZTGXJCZRHTRJZ-UHFFFAOYSA-N
Compound name
chloro-(3,4,5,6-tetrachloro-2-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.8739 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.88118 151.8
[M+Na]+ 300.86312 161.6
[M-H]- 276.86662 148.7
[M+NH4]+ 295.90772 166.3
[M+K]+ 316.83706 156.3
[M+H-H2O]+ 260.87116 149.0
[M+HCOO]- 322.87210 148.6
[M+CH3COO]- 336.88775 201.0
[M+Na-2H]- 298.84857 151.0
[M]+ 277.87335 150.0
[M]- 277.87445 150.0
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.