CID 11031357

Phenyl 2,2,2-trifluoroethyl carbonate

Structural Information

Molecular Formula
C9H7F3O3
SMILES
C1=CC=C(C=C1)OC(=O)OCC(F)(F)F
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
NGGUSKNBBASYGO-UHFFFAOYSA-N
Compound name
phenyl 2,2,2-trifluoroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

220.03473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.042006 141.1
[M+Na]+ 243.023948 149.2
[M-H]- 219.027454 140.9
[M+NH4]+ 238.068553 159.3
[M+K]+ 258.997888 147.9
[M+H-H2O]+ 203.031990 132.8
[M+HCOO]- 265.032931 160.8
[M+CH3COO]- 279.048581 183.9
[M+Na-2H]- 241.009396 147.0
[M]+ 220.03418142 139.7
[M]- 220.03527858 139.7
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

patents stripe