CID 44185730

(1r,2r)-2-(3,4-difluorophenyl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C10H9F2NO
SMILES
C1[C@H]([C@@H]1C(=O)N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1
InChIKey
PYEJQVYISBUGDU-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

197.06522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07250 132.4
[M+Na]+ 220.05444 143.2
[M-H]- 196.05794 137.8
[M+NH4]+ 215.09904 146.9
[M+K]+ 236.02838 138.9
[M+H-H2O]+ 180.06248 124.5
[M+HCOO]- 242.06342 155.0
[M+CH3COO]- 256.07907 190.9
[M+Na-2H]- 218.03989 135.9
[M]+ 197.06467 131.3
[M]- 197.06577 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe