CID 122374234

Pechmeo-meodfp

Structural Information

Molecular Formula
C17H22F2O2
SMILES
C/C=C/C1CCC(CC1)COC2=C(C(=C(C=C2)OC)F)F
InChI
InChI=1S/C17H22F2O2/c1-3-4-12-5-7-13(8-6-12)11-21-15-10-9-14(20-2)16(18)17(15)19/h3-4,9-10,12-13H,5-8,11H2,1-2H3/b4-3+
InChIKey
VPVOKKNFQLUKMD-ONEGZZNKSA-N
Compound name
2,3-difluoro-1-methoxy-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

296.15878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16606 168.9
[M+Na]+ 319.14800 175.2
[M-H]- 295.15150 172.2
[M+NH4]+ 314.19260 184.5
[M+K]+ 335.12194 170.9
[M+H-H2O]+ 279.15604 159.5
[M+HCOO]- 341.15698 186.3
[M+CH3COO]- 355.17263 204.7
[M+Na-2H]- 317.13345 168.2
[M]+ 296.15823 166.1
[M]- 296.15933 166.1
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