CID 13294154

Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-

Structural Information

Molecular Formula
C3HCl3F4O
SMILES
C(C(F)(Cl)Cl)(OC(F)(F)F)Cl
InChI
InChI=1S/C3HCl3F4O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKey
TYAWQASXBDYRLQ-UHFFFAOYSA-N
Compound name
1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.90291 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.91019 129.6
[M+Na]+ 256.89213 139.8
[M-H]- 232.89563 124.2
[M+NH4]+ 251.93673 148.6
[M+K]+ 272.86607 135.3
[M+H-H2O]+ 216.90017 125.3
[M+HCOO]- 278.90111 131.9
[M+CH3COO]- 292.91676 186.6
[M+Na-2H]- 254.87758 134.4
[M]+ 233.90236 127.5
[M]- 233.90346 127.5
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