CID 517829

Butane, 2,2,3-trichloro-

Structural Information

Molecular Formula
C4H7Cl3
SMILES
CC(C(C)(Cl)Cl)Cl
InChI
InChI=1S/C4H7Cl3/c1-3(5)4(2,6)7/h3H,1-2H3
InChIKey
UNTJXPFYXVCMFE-UHFFFAOYSA-N
Compound name
2,2,3-trichlorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

159.96133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.968606 126.9
[M+Na]+ 182.950548 136.1
[M-H]- 158.954054 126.1
[M+NH4]+ 177.995153 148.9
[M+K]+ 198.924488 132.1
[M+H-H2O]+ 142.958590 125.8
[M+HCOO]- 204.959531 133.8
[M+CH3COO]- 218.975181 177.3
[M+Na-2H]- 180.935996 132.2
[M]+ 159.96078142 128.6
[M]- 159.96187858 128.6
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