CID 3860780

3-chloro-5-fluoro-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
COC1=C(C=C(C=C1Cl)C=O)F
InChI
InChI=1S/C8H6ClFO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChIKey
HILNMKBXNYUXIJ-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoro-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

188.00403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01131 130.2
[M+Na]+ 210.99325 142.0
[M-H]- 186.99675 133.5
[M+NH4]+ 206.03785 151.6
[M+K]+ 226.96719 138.4
[M+H-H2O]+ 171.00129 125.3
[M+HCOO]- 233.00223 150.2
[M+CH3COO]- 247.01788 181.4
[M+Na-2H]- 208.97870 136.1
[M]+ 188.00348 134.0
[M]- 188.00458 134.0
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