CID 15430760

2,3-difluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)phenol

Structural Information

Molecular Formula
C21H30F2O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)O)F)F
InChI
InChI=1S/C21H30F2O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24)21(23)20(18)22/h12-17,24H,2-11H2,1H3
InChIKey
NQAQHDDDUCYXMB-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

336.22647 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23375 184.1
[M+Na]+ 359.21569 187.1
[M-H]- 335.21919 188.1
[M+NH4]+ 354.26029 196.9
[M+K]+ 375.18963 180.9
[M+H-H2O]+ 319.22373 173.7
[M+HCOO]- 381.22467 195.2
[M+CH3COO]- 395.24032 211.7
[M+Na-2H]- 357.20114 179.3
[M]+ 336.22592 173.6
[M]- 336.22702 173.6
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