CID 53487589

2bchmeodfp

Structural Information

Molecular Formula
C21H30F2O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OC)F)F
InChI
InChI=1S/C21H30F2O/c1-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24-2)21(23)20(18)22/h12-17H,3-11H2,1-2H3
InChIKey
XVQXZAGGKKBCGJ-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

336.22647 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23375 183.9
[M+Na]+ 359.21569 187.3
[M-H]- 335.21919 189.3
[M+NH4]+ 354.26029 197.4
[M+K]+ 375.18963 182.0
[M+H-H2O]+ 319.22373 173.1
[M+HCOO]- 381.22467 196.5
[M+CH3COO]- 395.24032 214.1
[M+Na-2H]- 357.20114 179.5
[M]+ 336.22592 175.2
[M]- 336.22702 175.2
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