CID 57583104

1373116-00-7

Structural Information

Molecular Formula
C17H24F2O2
SMILES
CCCC1CCC(CC1)COC2=C(C(=C(C=C2)OC)F)F
InChI
InChI=1S/C17H24F2O2/c1-3-4-12-5-7-13(8-6-12)11-21-15-10-9-14(20-2)16(18)17(15)19/h9-10,12-13H,3-8,11H2,1-2H3
InChIKey
VPEMEZFAMQJFFP-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

298.17444 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18172 170.1
[M+Na]+ 321.16366 176.1
[M-H]- 297.16716 173.4
[M+NH4]+ 316.20826 185.7
[M+K]+ 337.13760 172.3
[M+H-H2O]+ 281.17170 160.7
[M+HCOO]- 343.17264 187.4
[M+CH3COO]- 357.18829 206.1
[M+Na-2H]- 319.14911 169.4
[M]+ 298.17389 168.1
[M]- 298.17499 168.1
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