CID 992

Pentachlorophenol

Structural Information

Molecular Formula
C6HCl5O
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
IZUPBVBPLAPZRR-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentachlorophenol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

2565
References

92210
Patents

263.84702 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.85430 145.0
[M+Na]+ 286.83624 156.4
[M-H]- 262.83974 143.1
[M+NH4]+ 281.88084 161.5
[M+K]+ 302.81018 150.8
[M+H-H2O]+ 246.84428 144.3
[M+HCOO]- 308.84522 142.6
[M+CH3COO]- 322.86087 195.0
[M+Na-2H]- 284.82169 145.3
[M]+ 263.84647 144.9
[M]- 263.84757 144.9
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.