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

26
Patents

167.03825 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04553 129.7
[M+Na]+ 190.02747 138.9
[M-H]- 166.03097 132.3
[M+NH4]+ 185.07207 149.9
[M+K]+ 206.00141 136.7
[M+H-H2O]+ 150.03551 123.3
[M+HCOO]- 212.03645 153.8
[M+CH3COO]- 226.05210 180.6
[M+Na-2H]- 188.01292 134.5
[M]+ 167.03770 127.9
[M]- 167.03880 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