CID 15767

Pentachloroanisole

Structural Information

Molecular Formula
C7H3Cl5O
SMILES
COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey
BBABSCYTNHOKOG-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

62
References

309
Patents

277.86264 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.86992 149.8
[M+Na]+ 300.85186 161.1
[M-H]- 276.85536 148.8
[M+NH4]+ 295.89646 166.4
[M+K]+ 316.82580 156.1
[M+H-H2O]+ 260.85990 148.3
[M+HCOO]- 322.86084 148.3
[M+CH3COO]- 336.87649 199.8
[M+Na-2H]- 298.83731 149.9
[M]+ 277.86209 151.6
[M]- 277.86319 151.6
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.