CID 155820768

2460756-54-9

Structural Information

Molecular Formula
C9H9BrClN3
SMILES
C1=CC2=C(C=C1Br)N=C(N2CCCl)N
InChI
InChI=1S/C9H9BrClN3/c10-6-1-2-8-7(5-6)13-9(12)14(8)4-3-11/h1-2,5H,3-4H2,(H2,12,13)
InChIKey
XMBUAJSDMWVJJI-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-chloroethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.96683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97411 148.7
[M+Na]+ 295.95605 164.2
[M-H]- 271.95955 153.7
[M+NH4]+ 291.00065 170.0
[M+K]+ 311.92999 150.4
[M+H-H2O]+ 255.96409 148.2
[M+HCOO]- 317.96503 166.2
[M+CH3COO]- 331.98068 164.0
[M+Na-2H]- 293.94150 156.1
[M]+ 272.96628 170.3
[M]- 272.96738 170.3
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.