CID 12010659

Dtxsid501196572

Structural Information

Molecular Formula
C21H17ClF2
SMILES
CCCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)Cl)F)F
InChI
InChI=1S/C21H17ClF2/c1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15/h4-13H,2-3H2,1H3
InChIKey
AWEBXHRUFAZDRI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

342.0987 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10598 178.4
[M+Na]+ 365.08792 189.0
[M-H]- 341.09142 185.7
[M+NH4]+ 360.13252 193.1
[M+K]+ 381.06186 180.2
[M+H-H2O]+ 325.09596 168.2
[M+HCOO]- 387.09690 194.9
[M+CH3COO]- 401.11255 189.7
[M+Na-2H]- 363.07337 179.6
[M]+ 342.09815 179.5
[M]- 342.09925 179.5
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