CID 2723773

4,4'-difluorobenzhydryl chloride

Structural Information

Molecular Formula
C13H9ClF2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F
InChI
InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey
FHPNLCLHMNPLEW-UHFFFAOYSA-N
Compound name
1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

238.03609 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04337 145.9
[M+Na]+ 261.02531 155.6
[M-H]- 237.02881 150.1
[M+NH4]+ 256.06991 164.5
[M+K]+ 276.99925 149.5
[M+H-H2O]+ 221.03335 138.1
[M+HCOO]- 283.03429 162.9
[M+CH3COO]- 297.04994 191.4
[M+Na-2H]- 259.01076 150.3
[M]+ 238.03554 144.9
[M]- 238.03664 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe