CID 199667

Hooker hrs-1362

Structural Information

Molecular Formula
C12H5Cl10NO2
SMILES
CC(=O)NC1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H5Cl10NO2/c1-2(24)23-12(25)9(19)3(13)4(14)8(18)6(16,10(4,12)20)5(9,15)7(3,17)11(8,21)22/h25H,1H3,(H,23,24)
InChIKey
NHQCZWZLXALKDB-UHFFFAOYSA-N
Compound name
N-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxy-5-pentacyclo[5.3.0.02,6.03,9.04,8]decanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.7206 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.72788 194.8
[M+Na]+ 567.70982 200.0
[M-H]- 543.71332 187.4
[M+NH4]+ 562.75442 204.2
[M+K]+ 583.68376 195.7
[M+H-H2O]+ 527.71786 195.4
[M+HCOO]- 589.71880 176.9
[M+CH3COO]- 603.73445 193.5
[M+Na-2H]- 565.69527 190.4
[M]+ 544.72005 194.2
[M]- 544.72115 194.2
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.