CID 581325

82832-57-3

Structural Information

Molecular Formula
C21H30F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3
InChIKey
FSWZOZXLWVWJAH-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

320.23157 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23885 180.6
[M+Na]+ 343.22079 183.1
[M-H]- 319.22429 185.5
[M+NH4]+ 338.26539 194.4
[M+K]+ 359.19473 177.1
[M+H-H2O]+ 303.22883 169.7
[M+HCOO]- 365.22977 192.9
[M+CH3COO]- 379.24542 210.9
[M+Na-2H]- 341.20624 176.7
[M]+ 320.23102 169.9
[M]- 320.23212 169.9
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