CID 20112065

3-chloro-4-ethoxy-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
CCOC1=C(C=C(C=C1Cl)C=O)F
InChI
InChI=1S/C9H8ClFO2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3
InChIKey
PFMVCTKZAPAVHC-UHFFFAOYSA-N
Compound name
3-chloro-4-ethoxy-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

202.01968 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.026956 135.0
[M+Na]+ 225.008898 146.4
[M-H]- 201.012404 138.2
[M+NH4]+ 220.053503 155.8
[M+K]+ 240.982838 142.6
[M+H-H2O]+ 185.016940 129.9
[M+HCOO]- 247.017881 154.7
[M+CH3COO]- 261.033531 184.5
[M+Na-2H]- 222.994346 140.3
[M]+ 202.01913142 139.2
[M]- 202.02022858 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

No literature data available for this compound.

Patent stripe

patents stripe