CID 3744990

2,3-difluoro-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6F2O2
SMILES
COC1=C(C(=C(C=C1)C=O)F)F
InChI
InChI=1S/C8H6F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-4H,1H3
InChIKey
UBBBLLSKHCENQZ-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

172.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04086 134.8
[M+Na]+ 195.02280 146.8
[M+NH4]+ 190.06740 141.8
[M+K]+ 210.99674 140.6
[M-H]- 171.02630 133.9
[M+Na-2H]- 193.00825 140.2
[M]+ 172.03303 136.0
[M]- 172.03413 136.0
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

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