CID 155354425

3chpmeo-2odfp

Structural Information

Molecular Formula
C24H30F2O2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H30F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h8-9,12-15,17,19H,3-7,10-11,16H2,1-2H3
InChIKey
YGZIEBGNHUBNMV-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.22137 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22865 196.8
[M+Na]+ 411.21059 201.7
[M-H]- 387.21409 202.6
[M+NH4]+ 406.25519 208.1
[M+K]+ 427.18453 195.8
[M+H-H2O]+ 371.21863 184.9
[M+HCOO]- 433.21957 212.8
[M+CH3COO]- 447.23522 223.8
[M+Na-2H]- 409.19604 193.7
[M]+ 388.22082 194.8
[M]- 388.22192 194.8
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