CID 137698633

1-(2,6-difluorophenyl)-4-methoxy-2-methylbenzene

Structural Information

Molecular Formula
C14H12F2O
SMILES
CC1=C(C=CC(=C1)OC)C2=C(C=CC=C2F)F
InChI
InChI=1S/C14H12F2O/c1-9-8-10(17-2)6-7-11(9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3
InChIKey
WBBYQMWKHGHRPJ-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-(4-methoxy-2-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08562 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09290 147.6
[M+Na]+ 257.07484 158.2
[M-H]- 233.07834 152.7
[M+NH4]+ 252.11944 166.2
[M+K]+ 273.04878 154.0
[M+H-H2O]+ 217.08288 139.1
[M+HCOO]- 279.08382 170.1
[M+CH3COO]- 293.09947 194.1
[M+Na-2H]- 255.06029 151.7
[M]+ 234.08507 147.5
[M]- 234.08617 147.5
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.