CID 138402

5005-62-9

Structural Information

Molecular Formula
C6H2Cl6N2
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl)Cl)N
InChI
InChI=1S/C6H2Cl6N2/c7-1-3(13)2(8)5(9)14-4(1)6(10,11)12/h(H2,13,14)
InChIKey
VNJVZJNBTWPKNX-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-(trichloromethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

311.8349 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.84218 165.3
[M+Na]+ 334.82412 173.8
[M-H]- 310.82762 160.1
[M+NH4]+ 329.86872 177.3
[M+K]+ 350.79806 169.4
[M+H-H2O]+ 294.83216 162.2
[M+HCOO]- 356.83310 155.9
[M+CH3COO]- 370.84875 206.5
[M+Na-2H]- 332.80957 163.4
[M]+ 311.83435 160.6
[M]- 311.83545 160.6
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