CID 12809739

382-19-4

Structural Information

Molecular Formula
C4HClF6O
SMILES
C(C(=O)Cl)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C4HClF6O/c5-2(12)1(3(6,7)8)4(9,10)11/h1H
InChIKey
AZKSSGUJWJNPPY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(trifluoromethyl)propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

213.962 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96928 127.9
[M+Na]+ 236.95122 137.9
[M-H]- 212.95472 121.3
[M+NH4]+ 231.99582 147.2
[M+K]+ 252.92516 135.0
[M+H-H2O]+ 196.95926 120.5
[M+HCOO]- 258.96020 137.1
[M+CH3COO]- 272.97585 184.3
[M+Na-2H]- 234.93667 131.5
[M]+ 213.96145 121.0
[M]- 213.96255 121.0
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