CID 2737374

5-fluoro-2-methylbenzamide

Structural Information

Molecular Formula
C8H8FNO
SMILES
CC1=C(C=C(C=C1)F)C(=O)N
InChI
InChI=1S/C8H8FNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
VPAFHFHYJHZKSR-UHFFFAOYSA-N
Compound name
5-fluoro-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

153.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 129.8
[M+Na]+ 176.04821 141.4
[M+NH4]+ 171.09281 137.7
[M+K]+ 192.02215 135.8
[M-H]- 152.05171 130.9
[M+Na-2H]- 174.03366 135.9
[M]+ 153.05844 131.5
[M]- 153.05954 131.5
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

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