CID 23391190

Medflt

Structural Information

Molecular Formula
C19H13ClF2
SMILES
CC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)F)F
InChI
InChI=1S/C19H13ClF2/c1-12-2-3-15(11-18(12)21)17-9-6-14(10-19(17)22)13-4-7-16(20)8-5-13/h2-11H,1H3
InChIKey
LPBFKASEWQIZBS-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

314.06738 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07466 168.9
[M+Na]+ 337.05660 180.4
[M-H]- 313.06010 176.6
[M+NH4]+ 332.10120 184.8
[M+K]+ 353.03054 172.1
[M+H-H2O]+ 297.06464 159.3
[M+HCOO]- 359.06558 186.1
[M+CH3COO]- 373.08123 181.1
[M+Na-2H]- 335.04205 171.3
[M]+ 314.06683 169.4
[M]- 314.06793 169.4
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

No patent data available for this compound.