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]+ 215.976696 142.1
[M+Na]+ 237.958638 157.8
[M-H]- 213.962144 149.0
[M+NH4]+ 233.003243 159.6
[M+K]+ 253.932578 146.9
[M+H-H2O]+ 197.966680 141.4
[M+HCOO]- 259.967621 162.9
[M+CH3COO]- 273.983271 184.9
[M+Na-2H]- 235.944086 150.4
[M]+ 214.96887142 163.3
[M]- 214.96996858 163.3
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.