CID 612306

85312-59-0

Structural Information

Molecular Formula
C21H24F2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C21H24F2/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/h8-16H,2-7H2,1H3
InChIKey
VULXHDGYVHCLLN-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

539
Patents

314.1846 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19188 175.9
[M+Na]+ 337.17382 181.6
[M-H]- 313.17732 182.0
[M+NH4]+ 332.21842 190.3
[M+K]+ 353.14776 175.0
[M+H-H2O]+ 297.18186 165.1
[M+HCOO]- 359.18280 192.7
[M+CH3COO]- 373.19845 209.8
[M+Na-2H]- 335.15927 175.3
[M]+ 314.18405 169.7
[M]- 314.18515 169.7
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