CID 12376289

17351-95-0

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC=C(C=C1)OCC(F)(F)F
InChI
InChI=1S/C8H7F3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MFWASTQSJSBGNG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1048
Patents

176.0449 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.052176 130.9
[M+Na]+ 199.034118 139.4
[M-H]- 175.037624 130.8
[M+NH4]+ 194.078723 151.1
[M+K]+ 215.008058 137.4
[M+H-H2O]+ 159.042160 123.1
[M+HCOO]- 221.043101 151.3
[M+CH3COO]- 235.058751 178.4
[M+Na-2H]- 197.019566 138.5
[M]+ 176.04435142 127.8
[M]- 176.04544858 127.8
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