CID 4591988

N-ethyl-2,6-difluorobenzamide

Structural Information

Molecular Formula
C9H9F2NO
SMILES
CCNC(=O)C1=C(C=CC=C1F)F
InChI
InChI=1S/C9H9F2NO/c1-2-12-9(13)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKey
UQFMJCCMJOKHMH-UHFFFAOYSA-N
Compound name
N-ethyl-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.06522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.072496 135.0
[M+Na]+ 208.054438 143.6
[M-H]- 184.057944 136.6
[M+NH4]+ 203.099043 154.9
[M+K]+ 224.028378 141.2
[M+H-H2O]+ 168.062480 127.6
[M+HCOO]- 230.063421 157.9
[M+CH3COO]- 244.079071 185.2
[M+Na-2H]- 206.039886 139.7
[M]+ 185.06467142 132.6
[M]- 185.06576858 132.6
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