CID 3161249

162401-70-9

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=C(C=CC(=C1)C=O)OC(F)F
InChI
InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3
InChIKey
KGPOVKAYCXTCQS-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

202.04414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 136.3
[M+Na]+ 225.03336 145.6
[M-H]- 201.03686 137.9
[M+NH4]+ 220.07796 155.7
[M+K]+ 241.00730 144.3
[M+H-H2O]+ 185.04140 128.9
[M+HCOO]- 247.04234 158.7
[M+CH3COO]- 261.05799 185.1
[M+Na-2H]- 223.01881 140.8
[M]+ 202.04359 137.7
[M]- 202.04469 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe