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

20
Patents

167.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 132.2
[M+Na]+ 190.06387 140.8
[M-H]- 166.06737 135.2
[M+NH4]+ 185.10847 153.0
[M+K]+ 206.03781 138.9
[M+H-H2O]+ 150.07191 125.8
[M+HCOO]- 212.07285 156.2
[M+CH3COO]- 226.08850 182.4
[M+Na-2H]- 188.04932 137.5
[M]+ 167.07410 131.0
[M]- 167.07520 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