CID 21525434

57381-63-2

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
CCOC(=O)C1=C(C=CC(=C1)F)Cl
InChI
InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChIKey
GWENTXANAYAWIK-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-5-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

202.01968 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.026956 135.8
[M+Na]+ 225.008898 146.1
[M-H]- 201.012404 138.7
[M+NH4]+ 220.053503 156.4
[M+K]+ 240.982838 142.7
[M+H-H2O]+ 185.016940 130.5
[M+HCOO]- 247.017881 154.6
[M+CH3COO]- 261.033531 183.5
[M+Na-2H]- 222.994346 140.6
[M]+ 202.01913142 138.9
[M]- 202.02022858 138.9
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

patents stripe