CID 114482

1,1,1,3-tetrachlorobutane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

193.92236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92964 135.1
[M+Na]+ 216.91158 143.6
[M-H]- 192.91508 132.6
[M+NH4]+ 211.95618 154.9
[M+K]+ 232.88552 139.0
[M+H-H2O]+ 176.91962 134.2
[M+HCOO]- 238.92056 136.3
[M+CH3COO]- 252.93621 183.3
[M+Na-2H]- 214.89703 138.6
[M]+ 193.92181 135.4
[M]- 193.92291 135.4
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