CID 140250

17573-93-2

Structural Information

Molecular Formula
C5Cl5NO
SMILES
C1(=C(C(=[N+](C(=C1Cl)Cl)[O-])Cl)Cl)Cl
InChI
InChI=1S/C5Cl5NO/c6-1-2(7)4(9)11(12)5(10)3(1)8
InChIKey
BBMHWFCIWRBYFW-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentachloro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

264.84225 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.84953 150.4
[M+Na]+ 287.83147 159.9
[M-H]- 263.83497 145.6
[M+NH4]+ 282.87607 164.4
[M+K]+ 303.80541 152.0
[M+H-H2O]+ 247.83951 152.4
[M+HCOO]- 309.84045 146.7
[M+CH3COO]- 323.85610 188.6
[M+Na-2H]- 285.81692 151.3
[M]+ 264.84170 148.0
[M]- 264.84280 148.0
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