CID 63076556

5-(chloromethyl)-1,3-difluoro-2-(4-methoxyphenoxy)benzene

Structural Information

Molecular Formula
C14H11ClF2O2
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2F)CCl)F
InChI
InChI=1S/C14H11ClF2O2/c1-18-10-2-4-11(5-3-10)19-14-12(16)6-9(8-15)7-13(14)17/h2-7H,8H2,1H3
InChIKey
HUNARNQYLQFCIA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-difluoro-2-(4-methoxyphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.04156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04884 156.7
[M+Na]+ 307.03078 168.0
[M-H]- 283.03428 161.5
[M+NH4]+ 302.07538 174.0
[M+K]+ 323.00472 162.5
[M+H-H2O]+ 267.03882 148.6
[M+HCOO]- 329.03976 174.9
[M+CH3COO]- 343.05541 199.8
[M+Na-2H]- 305.01623 160.3
[M]+ 284.04101 160.3
[M]- 284.04211 160.3
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.