CID 25737

1,2,3,3-tetrachlorobutane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

193.92236 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92964 134.9
[M+Na]+ 216.91158 143.4
[M-H]- 192.91508 132.4
[M+NH4]+ 211.95618 154.7
[M+K]+ 232.88552 138.7
[M+H-H2O]+ 176.91962 134.0
[M+HCOO]- 238.92056 136.1
[M+CH3COO]- 252.93621 183.9
[M+Na-2H]- 214.89703 138.4
[M]+ 193.92181 135.3
[M]- 193.92291 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