CID 18854

1,2,3,4-tetrachlorobutane

Structural Information

Molecular Formula
C4H6Cl4
SMILES
C(C(C(CCl)Cl)Cl)Cl
InChI
InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
InChIKey
IXZVKECRTHXEEW-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachlorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

452
Patents

193.92236 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.929636 133.4
[M+Na]+ 216.911578 141.3
[M-H]- 192.915084 130.6
[M+NH4]+ 211.956183 153.1
[M+K]+ 232.885518 136.8
[M+H-H2O]+ 176.919620 132.4
[M+HCOO]- 238.920561 135.3
[M+CH3COO]- 252.936211 184.4
[M+Na-2H]- 214.897026 135.5
[M]+ 193.92181142 133.8
[M]- 193.92290858 133.8
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