CID 2735991

1-(phenylmethoxy)-3-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C14H11F3O
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
KFUXJOLIPMQFEL-UHFFFAOYSA-N
Compound name
1-phenylmethoxy-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

252.0762 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08348 152.5
[M+Na]+ 275.06542 160.8
[M-H]- 251.06892 155.3
[M+NH4]+ 270.11002 169.4
[M+K]+ 291.03936 156.4
[M+H-H2O]+ 235.07346 142.8
[M+HCOO]- 297.07440 172.3
[M+CH3COO]- 311.09005 193.2
[M+Na-2H]- 273.05087 158.6
[M]+ 252.07565 149.4
[M]- 252.07675 149.4
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