CID 59132996

2bchmeo-2odfp

Structural Information

Molecular Formula
C23H34F2O2
SMILES
CCC1CCC(CC1)C2CCC(CC2)COC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H34F2O2/c1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25/h13-14,16-19H,3-12,15H2,1-2H3
InChIKey
NNPZLKPDPPXXDD-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

380.2527 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25998 196.3
[M+Na]+ 403.24192 198.6
[M-H]- 379.24542 201.1
[M+NH4]+ 398.28652 207.7
[M+K]+ 419.21586 193.5
[M+H-H2O]+ 363.24996 184.8
[M+HCOO]- 425.25090 208.3
[M+CH3COO]- 439.26655 222.1
[M+Na-2H]- 401.22737 190.8
[M]+ 380.25215 189.6
[M]- 380.25325 189.6
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