CID 710777

4,5-difluoro-2-nitrobenzamide

Structural Information

Molecular Formula
C7H4F2N2O3
SMILES
C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C7H4F2N2O3/c8-4-1-3(7(10)12)6(11(13)14)2-5(4)9/h1-2H,(H2,10,12)
InChIKey
XNUFBXKVFBOGTK-UHFFFAOYSA-N
Compound name
4,5-difluoro-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

202.019 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02628 133.0
[M+Na]+ 225.00822 142.0
[M-H]- 201.01172 134.5
[M+NH4]+ 220.05282 151.0
[M+K]+ 240.98216 135.9
[M+H-H2O]+ 185.01626 130.3
[M+HCOO]- 247.01720 157.1
[M+CH3COO]- 261.03285 181.2
[M+Na-2H]- 222.99367 138.1
[M]+ 202.01845 128.2
[M]- 202.01955 128.2
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.