CID 89697323

4odfmeb

Structural Information

Molecular Formula
C17H18F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C)F)F
InChI
InChI=1S/C17H18F2O/c1-3-4-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3
InChIKey
DGRRDIZNMFLMKV-UHFFFAOYSA-N
Compound name
1-butoxy-2,3-difluoro-4-(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

276.13257 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13985 162.0
[M+Na]+ 299.12179 171.1
[M-H]- 275.12529 166.4
[M+NH4]+ 294.16639 178.7
[M+K]+ 315.09573 166.2
[M+H-H2O]+ 259.12983 152.7
[M+HCOO]- 321.13077 183.4
[M+CH3COO]- 335.14642 203.0
[M+Na-2H]- 297.10724 164.3
[M]+ 276.13202 162.9
[M]- 276.13312 162.9
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