CID 19103654

5chmeo-5odfp

Structural Information

Molecular Formula
C23H36F2O2
SMILES
CCCCCC1CCC(CC1)COC2=C(C(=C(C=C2)OCCCCC)F)F
InChI
InChI=1S/C23H36F2O2/c1-3-5-7-9-18-10-12-19(13-11-18)17-27-21-15-14-20(22(24)23(21)25)26-16-8-6-4-2/h14-15,18-19H,3-13,16-17H2,1-2H3
InChIKey
XUCRPXQWFXAPGE-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-pentoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.26834 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27562 197.6
[M+Na]+ 405.25756 200.9
[M-H]- 381.26106 199.6
[M+NH4]+ 400.30216 209.6
[M+K]+ 421.23150 195.7
[M+H-H2O]+ 365.26560 186.9
[M+HCOO]- 427.26654 212.7
[M+CH3COO]- 441.28219 223.9
[M+Na-2H]- 403.24301 193.6
[M]+ 382.26779 197.7
[M]- 382.26889 197.7
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