CID 23391193

Meflt

Structural Information

Molecular Formula
C19H14ClF
SMILES
CC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C19H14ClF/c1-13-2-3-17(12-19(13)21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h2-12H,1H3
InChIKey
IYRMBXZFUQMKKS-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.0768 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08408 166.1
[M+Na]+ 319.06602 176.7
[M-H]- 295.06952 174.9
[M+NH4]+ 314.11062 182.5
[M+K]+ 335.03996 168.7
[M+H-H2O]+ 279.07406 157.3
[M+HCOO]- 341.07500 184.4
[M+CH3COO]- 355.09065 178.6
[M+Na-2H]- 317.05147 169.8
[M]+ 296.07625 167.2
[M]- 296.07735 167.2
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