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

48
Patents

217.03058 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03786 140.5
[M+Na]+ 240.01980 150.0
[M-H]- 216.02330 144.8
[M+NH4]+ 235.06440 160.7
[M+K]+ 255.99374 147.9
[M+H-H2O]+ 200.02784 134.6
[M+HCOO]- 262.02878 160.8
[M+CH3COO]- 276.04443 191.8
[M+Na-2H]- 238.00525 144.7
[M]+ 217.03003 144.2
[M]- 217.03113 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