CID 117691848

3df5b

Structural Information

Molecular Formula
C20H24F2
SMILES
CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC)F)F
InChI
InChI=1S/C20H24F2/c1-3-5-6-8-15-9-11-16(12-10-15)18-14-13-17(7-4-2)19(21)20(18)22/h9-14H,3-8H2,1-2H3
InChIKey
BRGBABWOUDTGJH-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-pentylphenyl)-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

302.1846 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19188 172.3
[M+Na]+ 325.17382 180.2
[M-H]- 301.17732 176.2
[M+NH4]+ 320.21842 188.1
[M+K]+ 341.14776 174.0
[M+H-H2O]+ 285.18186 162.6
[M+HCOO]- 347.18280 192.4
[M+CH3COO]- 361.19845 210.0
[M+Na-2H]- 323.15927 172.9
[M]+ 302.18405 172.8
[M]- 302.18515 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

No literature data available for this compound.

Patent stripe

patents stripe