CID 12010660

Dtxsid501198073

Structural Information

Molecular Formula
C23H21ClF2
SMILES
CCCCCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)Cl)F)F
InChI
InChI=1S/C23H21ClF2/c1-2-3-4-5-16-6-12-21(22(25)14-16)18-9-13-20(23(26)15-18)17-7-10-19(24)11-8-17/h6-15H,2-5H2,1H3
InChIKey
GJGMXIJBNVQVSG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.12997 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13725 187.8
[M+Na]+ 393.11919 197.5
[M-H]- 369.12269 194.6
[M+NH4]+ 388.16379 201.3
[M+K]+ 409.09313 188.2
[M+H-H2O]+ 353.12723 177.1
[M+HCOO]- 415.12817 203.5
[M+CH3COO]- 429.14382 198.1
[M+Na-2H]- 391.10464 187.8
[M]+ 370.12942 189.5
[M]- 370.13052 189.5
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

patents stripe