CID 46856401

4-fluoro-3-formyl-benzamide

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1=CC(=C(C=C1C(=O)N)C=O)F
InChI
InChI=1S/C8H6FNO2/c9-7-2-1-5(8(10)12)3-6(7)4-11/h1-4H,(H2,10,12)
InChIKey
QRDXPJDKBLBYAZ-UHFFFAOYSA-N
Compound name
4-fluoro-3-formylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.03825 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 129.7
[M+Na]+ 190.027468 138.9
[M-H]- 166.030974 132.3
[M+NH4]+ 185.072073 149.9
[M+K]+ 206.001408 136.7
[M+H-H2O]+ 150.035510 123.3
[M+HCOO]- 212.036451 153.8
[M+CH3COO]- 226.052101 180.6
[M+Na-2H]- 188.012916 134.5
[M]+ 167.03770142 127.9
[M]- 167.03879858 127.9
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