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

39
Patents

202.01968 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02696 135.0
[M+Na]+ 225.00890 146.4
[M-H]- 201.01240 138.2
[M+NH4]+ 220.05350 155.8
[M+K]+ 240.98284 142.6
[M+H-H2O]+ 185.01694 129.9
[M+HCOO]- 247.01788 154.7
[M+CH3COO]- 261.03353 184.5
[M+Na-2H]- 222.99435 140.3
[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

No literature data available for this compound.

Patent stripe

patents stripe