CID 9588618

2-benzofurancarboximidamide, 5-chloro-n-hydroxy-3,4,6-trimethyl-

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]+ 253.073836 156.7
[M+Na]+ 275.055778 168.8
[M-H]- 251.059284 163.1
[M+NH4]+ 270.100383 176.7
[M+K]+ 291.029718 165.0
[M+H-H2O]+ 235.063820 152.1
[M+HCOO]- 297.064761 177.7
[M+CH3COO]- 311.080411 200.0
[M+Na-2H]- 273.041226 160.1
[M]+ 252.06601142 162.3
[M]- 252.06710858 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.