CID 2774578

4-fluoro-3-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

153.05899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066266 128.0
[M+Na]+ 176.048208 136.9
[M-H]- 152.051714 130.6
[M+NH4]+ 171.092813 148.9
[M+K]+ 192.022148 134.8
[M+H-H2O]+ 136.056250 121.8
[M+HCOO]- 198.057191 151.7
[M+CH3COO]- 212.072841 179.4
[M+Na-2H]- 174.033656 132.7
[M]+ 153.05844142 125.5
[M]- 153.05953858 125.5
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