CID 165598194

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

Structural Information

Molecular Formula
C6H6BrIN2
SMILES
C1CC2=C(N=C(N2C1)I)Br
InChI
InChI=1S/C6H6BrIN2/c7-5-4-2-1-3-10(4)6(8)9-5/h1-3H2
InChIKey
CBCGRHXXYVAHKV-UHFFFAOYSA-N
Compound name
1-bromo-3-iodo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.87592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.88320 137.7
[M+Na]+ 334.86514 144.9
[M-H]- 310.86864 136.5
[M+NH4]+ 329.90974 157.8
[M+K]+ 350.83908 140.8
[M+H-H2O]+ 294.87318 134.6
[M+HCOO]- 356.87412 153.8
[M+CH3COO]- 370.88977 149.8
[M+Na-2H]- 332.85059 133.1
[M]+ 311.87537 152.6
[M]- 311.87647 152.6
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.