CID 53796268

Schembl10693472

Structural Information

Molecular Formula
C26H29F
SMILES
CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CCC)F
InChI
InChI=1S/C26H29F/c1-3-5-6-8-21-9-13-22(14-10-21)24-17-18-25(26(27)19-24)23-15-11-20(7-4-2)12-16-23/h9-19H,3-8H2,1-2H3
InChIKey
FFGBSOFACBAQNC-UHFFFAOYSA-N
Compound name
2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

360.22534 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23262 191.7
[M+Na]+ 383.21456 198.2
[M-H]- 359.21806 199.3
[M+NH4]+ 378.25916 204.4
[M+K]+ 399.18850 190.3
[M+H-H2O]+ 343.22260 180.8
[M+HCOO]- 405.22354 212.0
[M+CH3COO]- 419.23919 220.9
[M+Na-2H]- 381.20001 191.9
[M]+ 360.22479 192.5
[M]- 360.22589 192.5
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

No patent data available for this compound.