CID 3048778

63981-28-2

Structural Information

Molecular Formula
C11H20Cl4
SMILES
CCCCCCCCCC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C11H20Cl4/c1-2-3-4-5-6-7-8-9-10(12)11(13,14)15/h10H,2-9H2,1H3
InChIKey
VYOZAWUTWGJHFP-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.03192 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.039196 166.1
[M+Na]+ 315.021138 172.1
[M-H]- 291.024644 162.6
[M+NH4]+ 310.065743 182.5
[M+K]+ 330.995078 165.7
[M+H-H2O]+ 275.029180 163.8
[M+HCOO]- 337.030121 165.3
[M+CH3COO]- 351.045771 202.3
[M+Na-2H]- 313.006586 166.1
[M]+ 292.03137142 169.0
[M]- 292.03246858 169.0
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