CID 642174

1,1,3,3-tetrachlorobutane

Structural Information

Molecular Formula
C4H6Cl4
SMILES
CC(CC(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C4H6Cl4/c1-4(7,8)2-3(5)6/h3H,2H2,1H3
InChIKey
NGAUWAOLBDDRKB-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrachlorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

193.92236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.929636 134.9
[M+Na]+ 216.911578 143.4
[M-H]- 192.915084 132.4
[M+NH4]+ 211.956183 154.7
[M+K]+ 232.885518 138.7
[M+H-H2O]+ 176.919620 134.0
[M+HCOO]- 238.920561 136.1
[M+CH3COO]- 252.936211 183.9
[M+Na-2H]- 214.897026 138.4
[M]+ 193.92181142 135.3
[M]- 193.92290858 135.3
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