CID 73928

1,2,3,4,5,6-hexachloro-7-methoxynaphthalene

Structural Information

Molecular Formula
C11H4Cl6O
SMILES
COC1=C(C(=C2C(=C1)C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H4Cl6O/c1-18-4-2-3-5(8(14)7(4)13)9(15)11(17)10(16)6(3)12/h2H,1H3
InChIKey
NGFRBDQAKZEZJX-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexachloro-7-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.83932 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.84660 171.3
[M+Na]+ 384.82854 182.3
[M-H]- 360.83204 168.7
[M+NH4]+ 379.87314 184.8
[M+K]+ 400.80248 177.8
[M+H-H2O]+ 344.83658 169.3
[M+HCOO]- 406.83752 163.2
[M+CH3COO]- 420.85317 178.8
[M+Na-2H]- 382.81399 168.9
[M]+ 361.83877 172.0
[M]- 361.83987 172.0
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

patents stripe