CID 165942542

1,3-dibromo-5h,6h,7h-pyrrolo[1,2-c]imidazole

Structural Information

Molecular Formula
C6H6Br2N2
SMILES
C1CC2=C(N=C(N2C1)Br)Br
InChI
InChI=1S/C6H6Br2N2/c7-5-4-2-1-3-10(4)6(8)9-5/h1-3H2
InChIKey
CUNLVLDOPSMILB-UHFFFAOYSA-N
Compound name
1,3-dibromo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.88977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.897046 137.8
[M+Na]+ 286.878988 151.1
[M-H]- 262.882494 144.1
[M+NH4]+ 281.923593 160.2
[M+K]+ 302.852928 137.2
[M+H-H2O]+ 246.887030 146.5
[M+HCOO]- 308.887971 153.9
[M+CH3COO]- 322.903621 153.0
[M+Na-2H]- 284.864436 144.2
[M]+ 263.88922142 171.4
[M]- 263.89031858 171.4
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.