CID 165690080

2731008-44-7

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
C1CC1(C(=O)O)N2N=CC(=N2)Br
InChI
InChI=1S/C6H6BrN3O2/c7-4-3-8-10(9-4)6(1-2-6)5(11)12/h3H,1-2H2,(H,11,12)
InChIKey
RCMCEZDBSIAKRD-UHFFFAOYSA-N
Compound name
1-(4-bromotriazol-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97162 141.8
[M+Na]+ 253.95356 145.1
[M+NH4]+ 248.99816 146.6
[M+K]+ 269.92750 147.9
[M-H]- 229.95706 146.2
[M+Na-2H]- 251.93901 147.4
[M]+ 230.96379 143.2
[M]- 230.96489 143.2
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.