CID 14993439

82832-58-4

Structural Information

Molecular Formula
C22H32F2
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C22H32F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h13-19H,2-12H2,1H3
InChIKey
NZXZINXFUSKTPH-UHFFFAOYSA-N
Compound name
4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6680
Patents

334.2472 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25448 185.1
[M+Na]+ 357.23642 187.1
[M-H]- 333.23992 189.7
[M+NH4]+ 352.28102 198.3
[M+K]+ 373.21036 180.9
[M+H-H2O]+ 317.24446 174.0
[M+HCOO]- 379.24540 197.1
[M+CH3COO]- 393.26105 213.8
[M+Na-2H]- 355.22187 180.7
[M]+ 334.24665 174.8
[M]- 334.24775 174.8
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