CID 211391

((5-bromobenzo(b)thien-2-yl)methyl)guanidine monohydriodide

Structural Information

Molecular Formula
C10H10BrN3S
SMILES
C1=CC2=C(C=C1Br)C=C(S2)CN=C(N)N
InChI
InChI=1S/C10H10BrN3S/c11-7-1-2-9-6(3-7)4-8(15-9)5-14-10(12)13/h1-4H,5H2,(H4,12,13,14)
InChIKey
YJJRECXMAVSRSX-UHFFFAOYSA-N
Compound name
2-[(5-bromo-1-benzothiophen-2-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97787 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98515 146.8
[M+Na]+ 305.96709 159.4
[M-H]- 281.97059 154.9
[M+NH4]+ 301.01169 169.2
[M+K]+ 321.94103 146.2
[M+H-H2O]+ 265.97513 145.5
[M+HCOO]- 327.97607 167.6
[M+CH3COO]- 341.99172 202.0
[M+Na-2H]- 303.95254 152.1
[M]+ 282.97732 165.8
[M]- 282.97842 165.8
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.