CID 10727682

1-[chloro(phenyl)methyl]-2-fluorobenzene

Structural Information

Molecular Formula
C13H10ClF
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2F)Cl
InChI
InChI=1S/C13H10ClF/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H
InChIKey
JZDFGWQHADEECT-UHFFFAOYSA-N
Compound name
1-[chloro(phenyl)methyl]-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

220.0455 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05278 143.7
[M+Na]+ 243.03472 152.4
[M-H]- 219.03822 149.0
[M+NH4]+ 238.07932 162.8
[M+K]+ 259.00866 146.8
[M+H-H2O]+ 203.04276 136.7
[M+HCOO]- 265.04370 161.8
[M+CH3COO]- 279.05935 156.8
[M+Na-2H]- 241.02017 149.4
[M]+ 220.04495 143.4
[M]- 220.04605 143.4
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

patents stripe