CID 67964

2-fluorobenzamide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

12
References

4003
Patents

139.04333 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.050606 123.7
[M+Na]+ 162.032548 132.2
[M-H]- 138.036054 126.1
[M+NH4]+ 157.077153 144.9
[M+K]+ 178.006488 130.3
[M+H-H2O]+ 122.040590 117.5
[M+HCOO]- 184.041531 147.8
[M+CH3COO]- 198.057181 175.2
[M+Na-2H]- 160.017996 129.8
[M]+ 139.04278142 120.5
[M]- 139.04387858 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