CID 9588615

Brn 5533721

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)/C(=N\O)/N
InChI
InChI=1S/C10H9ClN2O2/c1-5-7-4-6(11)2-3-8(7)15-9(5)10(12)13-14/h2-4,14H,1H3,(H2,12,13)
InChIKey
KADWXZNRFZLHDG-UHFFFAOYSA-N
Compound name
5-chloro-N'-hydroxy-3-methyl-1-benzofuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 146.7
[M+Na]+ 247.02447 157.9
[M-H]- 223.02797 152.6
[M+NH4]+ 242.06907 167.2
[M+K]+ 262.99841 154.4
[M+H-H2O]+ 207.03251 141.9
[M+HCOO]- 269.03345 168.4
[M+CH3COO]- 283.04910 191.4
[M+Na-2H]- 245.00992 152.6
[M]+ 224.03470 150.9
[M]- 224.03580 150.9
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.