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]+ 218.025936 137.6
[M+Na]+ 240.007878 146.1
[M-H]- 216.011384 139.2
[M+NH4]+ 235.052483 155.3
[M+K]+ 255.981818 140.7
[M+H-H2O]+ 200.015920 134.7
[M+HCOO]- 262.016861 161.2
[M+CH3COO]- 276.032511 181.2
[M+Na-2H]- 237.993326 143.6
[M]+ 217.01811142 136.0
[M]- 217.01920858 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