CID 165980561

3-(difluoromethoxy)-4,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C10H10F2O4
SMILES
COC1=C(C(=CC(=C1)C=O)OC(F)F)OC
InChI
InChI=1S/C10H10F2O4/c1-14-7-3-6(5-13)4-8(9(7)15-2)16-10(11)12/h3-5,10H,1-2H3
InChIKey
KAWOWPMALPRPQB-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06200 143.2
[M+Na]+ 255.04394 152.9
[M-H]- 231.04744 144.9
[M+NH4]+ 250.08854 161.6
[M+K]+ 271.01788 152.0
[M+H-H2O]+ 215.05198 135.5
[M+HCOO]- 277.05292 165.4
[M+CH3COO]- 291.06857 191.4
[M+Na-2H]- 253.02939 146.5
[M]+ 232.05417 146.8
[M]- 232.05527 146.8
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

No patent data available for this compound.