CID 23531414

364765-44-6

Structural Information

Molecular Formula
C22H26F2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C22H26F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,10-14,16-17H,3-4,6-9H2,1-2H3
InChIKey
RFWDRKVDQUGOPM-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

328.20026 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20754 180.3
[M+Na]+ 351.18948 186.5
[M-H]- 327.19298 186.6
[M+NH4]+ 346.23408 194.4
[M+K]+ 367.16342 179.7
[M+H-H2O]+ 311.19752 169.5
[M+HCOO]- 373.19846 196.7
[M+CH3COO]- 387.21411 213.9
[M+Na-2H]- 349.17493 178.4
[M]+ 328.19971 174.9
[M]- 328.20081 174.9
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