CID 10693

Pentachloroaniline

Structural Information

Molecular Formula
C6H2Cl5N
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N
InChI
InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
KHCZSJXTDDHLGJ-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentachloroaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

468
Patents

262.86298 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.87026 150.4
[M+Na]+ 285.85220 161.4
[M-H]- 261.85570 148.9
[M+NH4]+ 280.89680 167.0
[M+K]+ 301.82614 155.6
[M+H-H2O]+ 245.86024 149.2
[M+HCOO]- 307.86118 149.3
[M+CH3COO]- 321.87683 199.1
[M+Na-2H]- 283.83765 149.9
[M]+ 262.86243 149.2
[M]- 262.86353 149.2
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.