CID 129065349

3bch3dfp

Structural Information

Molecular Formula
C24H36F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)CCC)F)F
InChI
InChI=1S/C24H36F2/c1-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16-15-21(6-4-2)23(25)24(22)26/h15-20H,3-14H2,1-2H3
InChIKey
XZQCXCQFDBWQDC-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

362.2785 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28578 193.9
[M+Na]+ 385.26772 196.0
[M-H]- 361.27122 198.5
[M+NH4]+ 380.31232 206.3
[M+K]+ 401.24166 189.4
[M+H-H2O]+ 345.27576 182.6
[M+HCOO]- 407.27670 205.2
[M+CH3COO]- 421.29235 220.9
[M+Na-2H]- 383.25317 187.7
[M]+ 362.27795 184.7
[M]- 362.27905 184.7
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