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 142.1
[M+Na]+ 237.95864 157.8
[M-H]- 213.96214 149.0
[M+NH4]+ 233.00324 159.6
[M+K]+ 253.93258 146.9
[M+H-H2O]+ 197.96668 141.4
[M+HCOO]- 259.96762 162.9
[M+CH3COO]- 273.98327 184.9
[M+Na-2H]- 235.94409 150.4
[M]+ 214.96887 163.3
[M]- 214.96997 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.