CID 165993588

4-(difluoromethoxy)-3-(prop-2-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C11H8F2O3
SMILES
C#CCOC1=C(C=CC(=C1)C=O)OC(F)F
InChI
InChI=1S/C11H8F2O3/c1-2-5-15-10-6-8(7-14)3-4-9(10)16-11(12)13/h1,3-4,6-7,11H,5H2
InChIKey
ASBVSXJBGMZYHE-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05142 140.5
[M+Na]+ 249.03336 151.3
[M-H]- 225.03686 140.4
[M+NH4]+ 244.07796 156.7
[M+K]+ 265.00730 147.8
[M+H-H2O]+ 209.04140 127.1
[M+HCOO]- 271.04234 156.8
[M+CH3COO]- 285.05799 196.7
[M+Na-2H]- 247.01881 143.5
[M]+ 226.04359 136.4
[M]- 226.04469 136.4
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.