CID 71422906

1-(benzyloxy)-2-(difluoromethyl)benzene

Structural Information

Molecular Formula
C14H12F2O
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C(F)F
InChI
InChI=1S/C14H12F2O/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey
KTMMTXOXSXLMJK-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.08562 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09290 149.2
[M+Na]+ 257.07484 156.5
[M-H]- 233.07834 153.1
[M+NH4]+ 252.11944 166.6
[M+K]+ 273.04878 152.7
[M+H-H2O]+ 217.08288 140.0
[M+HCOO]- 279.08382 170.6
[M+CH3COO]- 293.09947 191.5
[M+Na-2H]- 255.06029 154.0
[M]+ 234.08507 147.2
[M]- 234.08617 147.2
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

patents stripe