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

17249
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

literature stripe

Patent stripe

patents stripe