CID 23391200

3flt

Structural Information

Molecular Formula
C21H18ClF
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)F
InChI
InChI=1S/C21H18ClF/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(22)14-21(20)23/h4-14H,2-3H2,1H3
InChIKey
FYNMVCMYUFVAND-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.1081 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11538 175.6
[M+Na]+ 347.09732 185.2
[M-H]- 323.10082 183.9
[M+NH4]+ 342.14192 190.7
[M+K]+ 363.07126 176.8
[M+H-H2O]+ 307.10536 166.2
[M+HCOO]- 369.10630 193.1
[M+CH3COO]- 383.12195 187.1
[M+Na-2H]- 345.08277 178.1
[M]+ 324.10755 177.2
[M]- 324.10865 177.2
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