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 136.4
[M+Na]+ 225.00890 145.7
[M-H]- 201.01240 138.9
[M+NH4]+ 220.05350 156.6
[M+K]+ 240.98284 142.2
[M+H-H2O]+ 185.01694 130.8
[M+HCOO]- 247.01788 155.2
[M+CH3COO]- 261.03353 183.0
[M+Na-2H]- 222.99435 141.9
[M]+ 202.01913 139.2
[M]- 202.02023 139.2
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

patents stripe