CID 28947197

4-(chloromethyl)-2-fluoro-1-phenoxybenzene

Structural Information

Molecular Formula
C13H10ClFO
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)CCl)F
InChI
InChI=1S/C13H10ClFO/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-8H,9H2
InChIKey
SXDMVHPJYVBBTR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-fluoro-1-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04770 146.9
[M+Na]+ 259.02964 156.7
[M-H]- 235.03314 152.4
[M+NH4]+ 254.07424 165.6
[M+K]+ 275.00358 151.3
[M+H-H2O]+ 219.03768 139.7
[M+HCOO]- 281.03862 166.2
[M+CH3COO]- 295.05427 189.8
[M+Na-2H]- 257.01509 153.0
[M]+ 236.03987 148.9
[M]- 236.04097 148.9
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.