CID 23548675

3-fluoro-n,4-dimethylbenzamide

Structural Information

Molecular Formula
C9H10FNO
SMILES
CC1=C(C=C(C=C1)C(=O)NC)F
InChI
InChI=1S/C9H10FNO/c1-6-3-4-7(5-8(6)10)9(12)11-2/h3-5H,1-2H3,(H,11,12)
InChIKey
GXYKESMXHVNYNW-UHFFFAOYSA-N
Compound name
3-fluoro-N,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 132.2
[M+Na]+ 190.063868 140.8
[M-H]- 166.067374 135.2
[M+NH4]+ 185.108473 153.0
[M+K]+ 206.037808 138.9
[M+H-H2O]+ 150.071910 125.8
[M+HCOO]- 212.072851 156.2
[M+CH3COO]- 226.088501 182.4
[M+Na-2H]- 188.049316 137.5
[M]+ 167.07410142 131.0
[M]- 167.07519858 131.0
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