CID 167720816

2-chloro-4-(difluoromethoxy)-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H4ClF2NO4
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])OC(F)F)Cl)C=O
InChI
InChI=1S/C8H4ClF2NO4/c9-5-2-7(16-8(10)11)6(12(14)15)1-4(5)3-13/h1-3,8H
InChIKey
DKSLXQRMLMBPIW-UHFFFAOYSA-N
Compound name
2-chloro-4-(difluoromethoxy)-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.97969 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98697 142.6
[M+Na]+ 273.96891 152.4
[M-H]- 249.97241 144.2
[M+NH4]+ 269.01351 160.0
[M+K]+ 289.94285 145.3
[M+H-H2O]+ 233.97695 141.0
[M+HCOO]- 295.97789 161.7
[M+CH3COO]- 309.99354 186.2
[M+Na-2H]- 271.95436 147.5
[M]+ 250.97914 143.6
[M]- 250.98024 143.6
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.