CID 14512150

1-ethoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene

Structural Information

Molecular Formula
C20H30F2O2
SMILES
CCCCCC1CCC(CC1)COC2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C20H30F2O2/c1-3-5-6-7-15-8-10-16(11-9-15)14-24-18-13-12-17(23-4-2)19(21)20(18)22/h12-13,15-16H,3-11,14H2,1-2H3
InChIKey
MWQBUSWUUUOMQN-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

340.22137 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22865 184.0
[M+Na]+ 363.21059 188.6
[M-H]- 339.21409 186.6
[M+NH4]+ 358.25519 197.7
[M+K]+ 379.18453 184.1
[M+H-H2O]+ 323.21863 173.9
[M+HCOO]- 385.21957 200.1
[M+CH3COO]- 399.23522 215.0
[M+Na-2H]- 361.19604 181.6
[M]+ 340.22082 183.0
[M]- 340.22192 183.0
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