CID 137943631

Rac-(1r,2r)-2-(3,5-dibromopyridin-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H7Br2NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C=C(C=N2)Br)Br
InChI
InChI=1S/C9H7Br2NO2/c10-4-1-7(11)8(12-3-4)5-2-6(5)9(13)14/h1,3,5-6H,2H2,(H,13,14)/t5-,6-/m1/s1
InChIKey
MXVXLWFKQJZHHK-PHDIDXHHSA-N
Compound name
(1R,2R)-2-(3,5-dibromopyridin-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.88434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.89162 147.7
[M+Na]+ 341.87356 160.5
[M-H]- 317.87706 155.8
[M+NH4]+ 336.91816 161.3
[M+K]+ 357.84750 144.2
[M+H-H2O]+ 301.88160 154.7
[M+HCOO]- 363.88254 162.3
[M+CH3COO]- 377.89819 206.7
[M+Na-2H]- 339.85901 153.2
[M]+ 318.88379 181.9
[M]- 318.88489 181.9
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

No patent data available for this compound.