CID 2776868

Propane, trichlorotrifluoro-

Structural Information

Molecular Formula
C3H2Cl3F3
SMILES
C(C(C(F)(F)F)(Cl)Cl)Cl
InChI
InChI=1S/C3H2Cl3F3/c4-1-2(5,6)3(7,8)9/h1H2
InChIKey
OMMADTGFNSRNEJ-UHFFFAOYSA-N
Compound name
2,2,3-trichloro-1,1,1-trifluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

199.91742 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.92470 127.4
[M+Na]+ 222.90664 137.7
[M-H]- 198.91014 123.0
[M+NH4]+ 217.95124 147.7
[M+K]+ 238.88058 132.7
[M+H-H2O]+ 182.91468 123.8
[M+HCOO]- 244.91562 131.1
[M+CH3COO]- 258.93127 181.4
[M+Na-2H]- 220.89209 133.4
[M]+ 199.91687 125.4
[M]- 199.91797 125.4
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