CID 66610471

N-((1r)-1-cyclopropylethyl)-2,6-difluorobenzamide

Structural Information

Molecular Formula
C12H13F2NO
SMILES
C[C@H](C1CC1)NC(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C12H13F2NO/c1-7(8-5-6-8)15-12(16)11-9(13)3-2-4-10(11)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKey
ZZHLNGIGIKUBPM-SSDOTTSWSA-N
Compound name
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.09653 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10381 141.1
[M+Na]+ 248.08575 149.9
[M-H]- 224.08925 146.3
[M+NH4]+ 243.13035 154.5
[M+K]+ 264.05969 146.1
[M+H-H2O]+ 208.09379 132.7
[M+HCOO]- 270.09473 162.8
[M+CH3COO]- 284.11038 196.3
[M+Na-2H]- 246.07120 144.1
[M]+ 225.09598 140.6
[M]- 225.09708 140.6
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