CID 97726120

2408970-81-8

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC1(C2=C(C=CC=N2)Br)C(=O)O
InChI
InChI=1S/C9H8BrNO2/c10-6-2-1-5-11-7(6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey
HJQZOZKOVNPBMA-UHFFFAOYSA-N
Compound name
1-(3-bromopyridin-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 138.2
[M+Na]+ 263.96307 143.2
[M+NH4]+ 259.00767 144.5
[M+K]+ 279.93701 143.6
[M-H]- 239.96657 144.9
[M+Na-2H]- 261.94852 146.1
[M]+ 240.97330 140.8
[M]- 240.97440 140.8
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.