CID 2759057

(4-fluorophenoxy)acetyl chloride

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
C1=CC(=CC=C1OCC(=O)Cl)F
InChI
InChI=1S/C8H6ClFO2/c9-8(11)5-12-7-3-1-6(10)2-4-7/h1-4H,5H2
InChIKey
VNOMNADZORCTGC-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

188.00403 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.011306 131.6
[M+Na]+ 210.993248 141.3
[M-H]- 186.996754 134.3
[M+NH4]+ 206.037853 152.3
[M+K]+ 226.967188 138.1
[M+H-H2O]+ 171.001290 126.3
[M+HCOO]- 233.002231 150.7
[M+CH3COO]- 247.017881 180.0
[M+Na-2H]- 208.978696 137.6
[M]+ 188.00348142 134.1
[M]- 188.00457858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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