CID 45081823

4-(2-fluoroethoxy)benzoyl chloride

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
C1=CC(=CC=C1C(=O)Cl)OCCF
InChI
InChI=1S/C9H8ClFO2/c10-9(12)7-1-3-8(4-2-7)13-6-5-11/h1-4H,5-6H2
InChIKey
SDJCERIPFFAVGJ-UHFFFAOYSA-N
Compound name
4-(2-fluoroethoxy)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

202.01968 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02696 137.5
[M+Na]+ 225.00890 150.4
[M+NH4]+ 220.05350 145.7
[M+K]+ 240.98284 143.6
[M-H]- 201.01240 138.0
[M+Na-2H]- 222.99435 144.1
[M]+ 202.01913 139.7
[M]- 202.02023 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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