CID 12010664

205806-87-7

Structural Information

Molecular Formula
C21H16F4
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C21H16F4/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16/h4-12H,2-3H2,1H3
InChIKey
YBPXWWAJMUUUAV-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

267
Patents

344.1188 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12608 178.9
[M+Na]+ 367.10802 189.7
[M-H]- 343.11152 184.1
[M+NH4]+ 362.15262 192.6
[M+K]+ 383.08196 181.6
[M+H-H2O]+ 327.11606 166.3
[M+HCOO]- 389.11700 197.6
[M+CH3COO]- 403.13265 216.6
[M+Na-2H]- 365.09347 178.4
[M]+ 344.11825 175.6
[M]- 344.11935 175.6
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