CID 132398595

3,5-dibromo-4-cyclopropyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C5H5Br2N3
SMILES
C1CC1N2C(=NN=C2Br)Br
InChI
InChI=1S/C5H5Br2N3/c6-4-8-9-5(7)10(4)3-1-2-3/h3H,1-2H2
InChIKey
VGTITZVRSKIQGQ-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-cyclopropyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.885 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.89228 139.3
[M+Na]+ 287.87422 154.2
[M-H]- 263.87772 146.8
[M+NH4]+ 282.91882 154.8
[M+K]+ 303.84816 138.5
[M+H-H2O]+ 247.88226 146.3
[M+HCOO]- 309.88320 155.5
[M+CH3COO]- 323.89885 153.8
[M+Na-2H]- 285.85967 146.4
[M]+ 264.88445 173.7
[M]- 264.88555 173.7
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.