CID 3750673

2-chloro-6-fluoro-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
COC1=C(C(=C(C=C1)F)C=O)Cl
InChI
InChI=1S/C8H6ClFO2/c1-12-7-3-2-6(10)5(4-11)8(7)9/h2-4H,1H3
InChIKey
WRJUPJLEUPNEBO-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-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]+ 189.011306 130.2
[M+Na]+ 210.993248 142.0
[M-H]- 186.996754 133.5
[M+NH4]+ 206.037853 151.6
[M+K]+ 226.967188 138.4
[M+H-H2O]+ 171.001290 125.3
[M+HCOO]- 233.002231 150.2
[M+CH3COO]- 247.017881 181.4
[M+Na-2H]- 208.978696 136.1
[M]+ 188.00348142 134.0
[M]- 188.00457858 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