CID 5326976

2-dimethylamino-4,5,6,7-tetrabromo-1h-benzimidazole

Structural Information

Molecular Formula
C9H7Br4N3
SMILES
CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
InChIKey
SLPJGDQJLTYWCI-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

83
References

7887
Patents

472.73734 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.74462 150.9
[M+Na]+ 495.72656 157.9
[M-H]- 471.73006 154.9
[M+NH4]+ 490.77116 161.0
[M+K]+ 511.70050 145.1
[M+H-H2O]+ 455.73460 168.6
[M+HCOO]- 517.73554 156.8
[M+CH3COO]- 531.75119 158.7
[M+Na-2H]- 493.71201 153.6
[M]+ 472.73679 190.1
[M]- 472.73789 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe