CID 11677

1,1,1,2,2,3,3-heptachloropropane

Structural Information

Molecular Formula
C3HCl7
SMILES
C(C(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H
InChIKey
YFIIENAGGCUHIQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptachloropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3625
Patents

281.7898 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.797076 164.8
[M+Na]+ 304.779018 169.5
[M-H]- 280.782524 156.5
[M+NH4]+ 299.823623 176.8
[M+K]+ 320.752958 166.8
[M+H-H2O]+ 264.787060 163.4
[M+HCOO]- 326.788001 149.2
[M+CH3COO]- 340.803651 202.7
[M+Na-2H]- 302.764466 162.1
[M]+ 281.78925142 156.2
[M]- 281.79034858 156.2
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