CID 15273

1,1,1,9-tetrachlorononane

Structural Information

Molecular Formula
C9H16Cl4
SMILES
C(CCCCCl)CCCC(Cl)(Cl)Cl
InChI
InChI=1S/C9H16Cl4/c10-8-6-4-2-1-3-5-7-9(11,12)13/h1-8H2
InChIKey
PVWUJBDIDCVQCR-UHFFFAOYSA-N
Compound name
1,1,1,9-tetrachlorononane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.0006 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00788 158.4
[M+Na]+ 286.98982 165.3
[M-H]- 262.99332 155.0
[M+NH4]+ 282.03442 175.8
[M+K]+ 302.96376 159.1
[M+H-H2O]+ 246.99786 156.3
[M+HCOO]- 308.99880 158.9
[M+CH3COO]- 323.01445 196.2
[M+Na-2H]- 284.97527 160.4
[M]+ 264.00005 161.0
[M]- 264.00115 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe