CID 77457

3849-33-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

281.7898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.79708 165.0
[M+Na]+ 304.77902 169.7
[M-H]- 280.78252 156.7
[M+NH4]+ 299.82362 177.0
[M+K]+ 320.75296 167.0
[M+H-H2O]+ 264.78706 163.6
[M+HCOO]- 326.78800 149.4
[M+CH3COO]- 340.80365 202.2
[M+Na-2H]- 302.76447 162.2
[M]+ 281.78925 156.2
[M]- 281.79035 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