CID 693286

2-(difluoromethoxy)-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H5F2NO4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C=O)OC(F)F
InChI
InChI=1S/C8H5F2NO4/c9-8(10)15-7-2-1-6(11(13)14)3-5(7)4-12/h1-4,8H
InChIKey
YERTUMJMWKSDIU-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.01866 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02594 137.6
[M+Na]+ 240.00788 146.1
[M-H]- 216.01138 139.2
[M+NH4]+ 235.05248 155.3
[M+K]+ 255.98182 140.7
[M+H-H2O]+ 200.01592 134.7
[M+HCOO]- 262.01686 161.2
[M+CH3COO]- 276.03251 181.2
[M+Na-2H]- 237.99333 143.6
[M]+ 217.01811 136.0
[M]- 217.01921 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

No literature data available for this compound.

Patent stripe

patents stripe