CID 28947146

4-(chloromethyl)-2-fluoro-1-(2-fluorophenoxy)benzene

Structural Information

Molecular Formula
C13H9ClF2O
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)CCl)F)F
InChI
InChI=1S/C13H9ClF2O/c14-8-9-5-6-13(11(16)7-9)17-12-4-2-1-3-10(12)15/h1-7H,8H2
InChIKey
HBFMKZAKGYXTAB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-fluoro-1-(2-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.031 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03828 149.1
[M+Na]+ 277.02022 160.0
[M-H]- 253.02372 153.7
[M+NH4]+ 272.06482 167.4
[M+K]+ 292.99416 154.1
[M+H-H2O]+ 237.02826 141.2
[M+HCOO]- 299.02920 167.4
[M+CH3COO]- 313.04485 193.6
[M+Na-2H]- 275.00567 154.0
[M]+ 254.03045 150.5
[M]- 254.03155 150.5
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.