CID 64335333

1-[2-chloro-4-(4-fluorophenoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C14H10ClFO2
SMILES
CC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C14H10ClFO2/c1-9(17)13-7-6-12(8-14(13)15)18-11-4-2-10(16)3-5-11/h2-8H,1H3
InChIKey
NRHFUAPESWFWDH-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(4-fluorophenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03534 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04262 152.9
[M+Na]+ 287.02456 163.2
[M-H]- 263.02806 158.9
[M+NH4]+ 282.06916 170.7
[M+K]+ 302.99850 158.1
[M+H-H2O]+ 247.03260 145.8
[M+HCOO]- 309.03354 171.4
[M+CH3COO]- 323.04919 195.9
[M+Na-2H]- 285.01001 156.7
[M]+ 264.03479 155.9
[M]- 264.03589 155.9
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.