CID 2758295

4-(difluoromethoxy)-3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=CC(=C(C=C1C=O)O)OC(F)F
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H
InChIKey
ZLIKNROJGXXNJG-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

430
Patents

188.0285 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.035776 132.2
[M+Na]+ 211.017718 141.5
[M-H]- 187.021224 132.5
[M+NH4]+ 206.062323 151.4
[M+K]+ 226.991658 139.5
[M+H-H2O]+ 171.025760 125.2
[M+HCOO]- 233.026701 153.4
[M+CH3COO]- 247.042351 179.5
[M+Na-2H]- 209.003166 136.7
[M]+ 188.02795142 131.3
[M]- 188.02904858 131.3
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