CID 4178453

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

Structural Information

Molecular Formula
C10HCl6NO2
SMILES
C1=C2C(=C(C(=C1[N+](=O)[O-])Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C10HCl6NO2/c11-5-2-1-3(17(18)19)6(12)7(13)4(2)8(14)10(16)9(5)15/h1H
InChIKey
HNKLZNMTZMOHHA-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexachloro-7-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.81384 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.82112 180.6
[M+Na]+ 399.80306 188.7
[M-H]- 375.80656 176.7
[M+NH4]+ 394.84766 191.9
[M+K]+ 415.77700 182.2
[M+H-H2O]+ 359.81110 182.9
[M+HCOO]- 421.81204 172.9
[M+CH3COO]- 435.82769 212.8
[M+Na-2H]- 397.78851 178.0
[M]+ 376.81329 179.1
[M]- 376.81439 179.1
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