CID 67692

(1,1,2,2-tetrafluoroethoxy)benzene

Structural Information

Molecular Formula
C8H6F4O
SMILES
C1=CC=C(C=C1)OC(C(F)F)(F)F
InChI
InChI=1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H
InChIKey
GRDIVJPQARIBNZ-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoroethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

485
Patents

194.03548 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04276 133.6
[M+Na]+ 217.02470 141.7
[M-H]- 193.02820 132.0
[M+NH4]+ 212.06930 152.7
[M+K]+ 232.99864 139.7
[M+H-H2O]+ 177.03274 124.8
[M+HCOO]- 239.03368 151.8
[M+CH3COO]- 253.04933 182.8
[M+Na-2H]- 215.01015 139.3
[M]+ 194.03493 128.6
[M]- 194.03603 128.6
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