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

177
Patents

220.03473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04201 141.1
[M+Na]+ 243.02395 149.2
[M-H]- 219.02745 140.9
[M+NH4]+ 238.06855 159.3
[M+K]+ 258.99789 147.9
[M+H-H2O]+ 203.03199 132.8
[M+HCOO]- 265.03293 160.8
[M+CH3COO]- 279.04858 183.9
[M+Na-2H]- 241.00940 147.0
[M]+ 220.03418 139.7
[M]- 220.03528 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