CID 9588618

Brn 5553145

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC1=CC2=C(C(=C1Cl)C)C(=C(O2)/C(=N\O)/N)C
InChI
InChI=1S/C12H13ClN2O2/c1-5-4-8-9(6(2)10(5)13)7(3)11(17-8)12(14)15-16/h4,16H,1-3H3,(H2,14,15)
InChIKey
KWVIKALCNUEIPC-UHFFFAOYSA-N
Compound name
5-chloro-N'-hydroxy-3,4,6-trimethyl-1-benzofuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 156.7
[M+Na]+ 275.05578 168.8
[M-H]- 251.05928 163.1
[M+NH4]+ 270.10038 176.7
[M+K]+ 291.02972 165.0
[M+H-H2O]+ 235.06382 152.1
[M+HCOO]- 297.06476 177.7
[M+CH3COO]- 311.08041 200.0
[M+Na-2H]- 273.04123 160.1
[M]+ 252.06601 162.3
[M]- 252.06711 162.3
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.