CID 23509154

155266-68-5

Structural Information

Molecular Formula
C22H30F2
SMILES
C=CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C22H30F2/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/h2,13-19H,1,3-12H2
InChIKey
UMULWEQZNFZORL-UHFFFAOYSA-N
Compound name
4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

332.23157 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23885 183.7
[M+Na]+ 355.22079 186.1
[M-H]- 331.22429 188.5
[M+NH4]+ 350.26539 197.0
[M+K]+ 371.19473 179.3
[M+H-H2O]+ 315.22883 172.7
[M+HCOO]- 377.22977 196.0
[M+CH3COO]- 391.24542 213.1
[M+Na-2H]- 353.20624 179.4
[M]+ 332.23102 172.8
[M]- 332.23212 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe