CID 21504304

3-(4-chlorophenyl)propanimidamide

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1=CC(=CC=C1CCC(=N)N)Cl
InChI
InChI=1S/C9H11ClN2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H3,11,12)
InChIKey
RNCKFBINLFWUDF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

182.06108 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 138.7
[M+Na]+ 205.050298 146.2
[M-H]- 181.053804 141.8
[M+NH4]+ 200.094903 158.7
[M+K]+ 221.024238 141.6
[M+H-H2O]+ 165.058340 133.6
[M+HCOO]- 227.059281 159.3
[M+CH3COO]- 241.074931 185.3
[M+Na-2H]- 203.035746 143.9
[M]+ 182.06053142 137.2
[M]- 182.06162858 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe