CID 12010661

154346-21-1

Structural Information

Molecular Formula
C21H17F3
SMILES
CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=C(C=C(C=C3)F)F)F
InChI
InChI=1S/C21H17F3/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-20(18)23)19-11-9-17(22)13-21(19)24/h4-13H,2-3H2,1H3
InChIKey
WJWOSMQGNGQEJF-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

326.12823 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13551 175.5
[M+Na]+ 349.11745 185.3
[M-H]- 325.12095 181.7
[M+NH4]+ 344.16205 189.8
[M+K]+ 365.09139 177.6
[M+H-H2O]+ 309.12549 163.8
[M+HCOO]- 371.12643 195.4
[M+CH3COO]- 385.14208 186.5
[M+Na-2H]- 347.10290 176.4
[M]+ 326.12768 173.0
[M]- 326.12878 173.0
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