CID 22225830

4-chloro-2-fluoro-n-methoxy-n-methylbenzamide

Structural Information

Molecular Formula
C9H9ClFNO2
SMILES
CN(C(=O)C1=C(C=C(C=C1)Cl)F)OC
InChI
InChI=1S/C9H9ClFNO2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,1-2H3
InChIKey
GYECROLIZPLTMN-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-N-methoxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

217.03058 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.037856 140.5
[M+Na]+ 240.019798 150.0
[M-H]- 216.023304 144.8
[M+NH4]+ 235.064403 160.7
[M+K]+ 255.993738 147.9
[M+H-H2O]+ 200.027840 134.6
[M+HCOO]- 262.028781 160.8
[M+CH3COO]- 276.044431 191.8
[M+Na-2H]- 238.005246 144.7
[M]+ 217.03003142 144.2
[M]- 217.03112858 144.2
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