CID 165681378

4-bromo-5-(bromomethyl)-2-(propan-2-yl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C6H9Br2N3
SMILES
CC(C)N1N=C(C(=N1)Br)CBr
InChI
InChI=1S/C6H9Br2N3/c1-4(2)11-9-5(3-7)6(8)10-11/h4H,3H2,1-2H3
InChIKey
KHJXYLORCIJISK-UHFFFAOYSA-N
Compound name
4-bromo-5-(bromomethyl)-2-propan-2-yltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.91632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.92360 134.4
[M+Na]+ 303.90554 147.1
[M-H]- 279.90904 138.9
[M+NH4]+ 298.95014 153.1
[M+K]+ 319.87948 132.5
[M+H-H2O]+ 263.91358 142.0
[M+HCOO]- 325.91452 149.2
[M+CH3COO]- 339.93017 201.8
[M+Na-2H]- 301.89099 141.0
[M]+ 280.91577 169.5
[M]- 280.91687 169.5
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.