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]+ 201.002176 136.6
[M+Na]+ 222.984118 148.1
[M-H]- 198.987624 139.8
[M+NH4]+ 218.028723 159.1
[M+K]+ 238.958058 137.0
[M+H-H2O]+ 182.992160 136.7
[M+HCOO]- 244.993101 153.6
[M+CH3COO]- 259.008751 151.1
[M+Na-2H]- 220.969566 144.1
[M]+ 199.99435142 151.1
[M]- 199.99544858 151.1
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.