CID 68010

(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey
GQHWSLKNULCZGI-UHFFFAOYSA-N
Compound name
trifluoromethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

17258
Patents

162.02925 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 126.1
[M+Na]+ 185.01847 135.0
[M-H]- 161.02197 126.1
[M+NH4]+ 180.06307 146.8
[M+K]+ 200.99241 133.3
[M+H-H2O]+ 145.02651 118.5
[M+HCOO]- 207.02745 146.8
[M+CH3COO]- 221.04310 175.4
[M+Na-2H]- 183.00392 134.3
[M]+ 162.02870 122.6
[M]- 162.02980 122.6
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

No patent data available for this compound.