CID 3307173

3-(4-bromophenyl)-6,7-dihydro-5h-pyrrolo[2,1-c][1,2,4]triazole

Structural Information

Molecular Formula
C11H10BrN3
SMILES
C1CC2=NN=C(N2C1)C3=CC=C(C=C3)Br
InChI
InChI=1S/C11H10BrN3/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h3-6H,1-2,7H2
InChIKey
JJCHZQWLFVSWKQ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0058 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.01308 151.7
[M+Na]+ 285.99502 164.9
[M-H]- 261.99852 158.8
[M+NH4]+ 281.03962 172.9
[M+K]+ 301.96896 154.0
[M+H-H2O]+ 246.00306 150.6
[M+HCOO]- 308.00400 171.3
[M+CH3COO]- 322.01965 166.5
[M+Na-2H]- 283.98047 157.1
[M]+ 263.00525 169.9
[M]- 263.00635 169.9
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.