CID 165995808

1-(4-bromo-2h-1,2,3-triazol-2-yl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H6BrN3O
SMILES
C1CC1(C=O)N2N=CC(=N2)Br
InChI
InChI=1S/C6H6BrN3O/c7-5-3-8-10(9-5)6(4-11)1-2-6/h3-4H,1-2H2
InChIKey
OBFCJUVSBOWTDN-UHFFFAOYSA-N
Compound name
1-(4-bromotriazol-2-yl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.96942 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97670 138.8
[M+Na]+ 237.95864 143.3
[M+NH4]+ 233.00324 144.5
[M+K]+ 253.93258 144.8
[M-H]- 213.96214 144.2
[M+Na-2H]- 235.94409 145.6
[M]+ 214.96887 140.8
[M]- 214.96997 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.