CID 33778496

937636-69-6

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CCC2=C(C1)NC(=N2)Br
InChI
InChI=1S/C7H9BrN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H,9,10)
InChIKey
VBOVGHHSVZJAOI-UHFFFAOYSA-N
Compound name
2-bromo-4,5,6,7-tetrahydro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9949 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 140.0
[M+Na]+ 222.98412 142.3
[M+NH4]+ 218.02872 145.4
[M+K]+ 238.95806 143.4
[M-H]- 198.98762 139.6
[M+Na-2H]- 220.96957 141.7
[M]+ 199.99435 138.9
[M]- 199.99545 138.9
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.