CID 14118322

3,5-dichloro-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3Cl2FO
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)C=O
InChI
InChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKey
HQMAHFRNJCBIGV-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

191.9545 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.961776 128.3
[M+Na]+ 214.943718 140.8
[M-H]- 190.947224 131.0
[M+NH4]+ 209.988323 149.9
[M+K]+ 230.917658 135.5
[M+H-H2O]+ 174.951760 124.5
[M+HCOO]- 236.952701 143.3
[M+CH3COO]- 250.968351 181.2
[M+Na-2H]- 212.929166 134.0
[M]+ 191.95395142 131.3
[M]- 191.95504858 131.3
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