CID 126752059

3-(3-chlorophenyl)-n'-hydroxypropanimidamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
C1=CC(=CC(=C1)Cl)CC/C(=N/O)/N
InChI
InChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)4-5-9(11)12-13/h1-3,6,13H,4-5H2,(H2,11,12)
InChIKey
UOYXMXVUAODHCN-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-N'-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 141.8
[M+Na]+ 221.045198 149.2
[M-H]- 197.048704 144.9
[M+NH4]+ 216.089803 161.2
[M+K]+ 237.019138 145.2
[M+H-H2O]+ 181.053240 136.5
[M+HCOO]- 243.054181 162.6
[M+CH3COO]- 257.069831 186.7
[M+Na-2H]- 219.030646 146.9
[M]+ 198.05543142 141.6
[M]- 198.05652858 141.6
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

patents stripe