CID 11423967

3-fluoro-4-nitrobenzamide

Structural Information

Molecular Formula
C7H5FN2O3
SMILES
C1=CC(=C(C=C1C(=O)N)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5FN2O3/c8-5-3-4(7(9)11)1-2-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
CKHYKLBLOPFXTB-UHFFFAOYSA-N
Compound name
3-fluoro-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

184.02843 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03571 131.2
[M+Na]+ 207.01765 139.2
[M-H]- 183.02115 133.7
[M+NH4]+ 202.06225 149.7
[M+K]+ 222.99159 133.5
[M+H-H2O]+ 167.02569 129.2
[M+HCOO]- 229.02663 156.3
[M+CH3COO]- 243.04228 177.2
[M+Na-2H]- 205.00310 137.4
[M]+ 184.02788 127.2
[M]- 184.02898 127.2
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

patents stripe