CID 113833

2,2,3-trichloro-1,4-difluorobutane

Structural Information

Molecular Formula
C4H5Cl3F2
SMILES
C(C(C(CF)(Cl)Cl)Cl)F
InChI
InChI=1S/C4H5Cl3F2/c5-3(1-8)4(6,7)2-9/h3H,1-2H2
InChIKey
HPHMSYPQZQZBPT-UHFFFAOYSA-N
Compound name
2,2,3-trichloro-1,4-difluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.94249 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.94977 129.4
[M+Na]+ 218.93171 138.6
[M-H]- 194.93521 125.8
[M+NH4]+ 213.97631 149.8
[M+K]+ 234.90565 133.7
[M+H-H2O]+ 178.93975 126.3
[M+HCOO]- 240.94069 134.3
[M+CH3COO]- 254.95634 182.5
[M+Na-2H]- 216.91716 133.7
[M]+ 195.94194 128.9
[M]- 195.94304 128.9
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

No patent data available for this compound.