CID 122367001

139195-63-4

Structural Information

Molecular Formula
C26H32F2
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C26H32F2/c1-2-18-3-5-19(6-4-18)20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-16-25(27)26(28)17-24/h11-21H,2-10H2,1H3
InChIKey
MWTNHMQXSIWVJZ-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

382.2472 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25448 197.5
[M+Na]+ 405.23642 200.0
[M-H]- 381.23992 205.2
[M+NH4]+ 400.28102 208.3
[M+K]+ 421.21036 192.2
[M+H-H2O]+ 365.24446 184.6
[M+HCOO]- 427.24540 209.3
[M+CH3COO]- 441.26105 204.3
[M+Na-2H]- 403.22187 192.3
[M]+ 382.24665 186.2
[M]- 382.24775 186.2
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