CID 71651951

1360921-11-4

Structural Information

Molecular Formula
C8H4BrN3
SMILES
C1=C(C=C(C2=C1NC=N2)Br)C#N
InChI
InChI=1S/C8H4BrN3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2,4H,(H,11,12)
InChIKey
MNRCWAVJRZLRRE-UHFFFAOYSA-N
Compound name
7-bromo-3H-benzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

220.95886 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96614 143.9
[M+Na]+ 243.94808 148.7
[M+NH4]+ 238.99268 146.1
[M+K]+ 259.92202 146.1
[M-H]- 219.95158 137.6
[M+Na-2H]- 241.93353 145.2
[M]+ 220.95831 141.0
[M]- 220.95941 141.0
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

patents stripe