CID 579600

Butane, 1,2,2,4-tetrachloro-

Structural Information

Molecular Formula
C4H6Cl4
SMILES
C(CCl)C(CCl)(Cl)Cl
InChI
InChI=1S/C4H6Cl4/c5-2-1-4(7,8)3-6/h1-3H2
InChIKey
KVDHZPQOODBZDP-UHFFFAOYSA-N
Compound name
1,2,2,4-tetrachlorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

193.92236 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92964 136.2
[M+Na]+ 216.91158 144.8
[M-H]- 192.91508 133.5
[M+NH4]+ 211.95618 156.0
[M+K]+ 232.88552 139.8
[M+H-H2O]+ 176.91962 135.1
[M+HCOO]- 238.92056 138.1
[M+CH3COO]- 252.93621 183.2
[M+Na-2H]- 214.89703 140.7
[M]+ 193.92181 137.0
[M]- 193.92291 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe