CID 211389

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

Structural Information

Molecular Formula
C10H10ClN3S
SMILES
C1=CC2=C(C=C1Cl)C=C(S2)CN=C(N)N
InChI
InChI=1S/C10H10ClN3S/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
GCZKOJGDWOBJAA-UHFFFAOYSA-N
Compound name
2-[(5-chloro-1-benzothiophen-2-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03568 149.5
[M+Na]+ 262.01762 159.7
[M-H]- 238.02112 155.3
[M+NH4]+ 257.06222 171.1
[M+K]+ 277.99156 154.0
[M+H-H2O]+ 222.02566 144.3
[M+HCOO]- 284.02660 168.2
[M+CH3COO]- 298.04225 162.9
[M+Na-2H]- 260.00307 152.6
[M]+ 239.02785 152.3
[M]- 239.02895 152.3
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.