CID 2776791

243139-60-8

Structural Information

Molecular Formula
C6H5F7O2
SMILES
C1C(O1)CC(C(F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2
InChIKey
YLTWQTPPDBTMJI-UHFFFAOYSA-N
Compound name
2-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

242.01778 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02506 132.2
[M+Na]+ 265.00700 142.3
[M-H]- 241.01050 129.0
[M+NH4]+ 260.05160 143.5
[M+K]+ 280.98094 141.1
[M+H-H2O]+ 225.01504 121.3
[M+HCOO]- 287.01598 144.0
[M+CH3COO]- 301.03163 192.6
[M+Na-2H]- 262.99245 139.7
[M]+ 242.01723 127.5
[M]- 242.01833 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