CID 54130657

41135-45-9

Structural Information

Molecular Formula
C4H7Cl3
SMILES
CCC(CCl)(Cl)Cl
InChI
InChI=1S/C4H7Cl3/c1-2-4(6,7)3-5/h2-3H2,1H3
InChIKey
ORIUHEBKTCFXAP-UHFFFAOYSA-N
Compound name
1,2,2-trichlorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.96133 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.96861 129.2
[M+Na]+ 182.95055 142.1
[M+NH4]+ 177.99515 138.5
[M+K]+ 198.92449 134.9
[M-H]- 158.95405 128.8
[M+Na-2H]- 180.93600 134.6
[M]+ 159.96078 131.8
[M]- 159.96188 131.8
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