CID 71572

4-fluorobenzamide

Structural Information

Molecular Formula
C7H6FNO
SMILES
C1=CC(=CC=C1C(=O)N)F
InChI
InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
VNDHYTGVCGVETQ-UHFFFAOYSA-N
Compound name
4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

3490
Patents

139.04333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 123.7
[M+Na]+ 162.03255 132.2
[M-H]- 138.03605 126.1
[M+NH4]+ 157.07715 144.9
[M+K]+ 178.00649 130.3
[M+H-H2O]+ 122.04059 117.5
[M+HCOO]- 184.04153 147.8
[M+CH3COO]- 198.05718 175.2
[M+Na-2H]- 160.01800 129.8
[M]+ 139.04278 120.5
[M]- 139.04388 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe