CID 34472

Brn 0750009

Structural Information

Molecular Formula
C9H12Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)CCNN=C(N)N)Cl
InChI
InChI=1S/C9H12Cl2N4/c10-7-2-1-3-8(11)6(7)4-5-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)
InChIKey
AVJNXOJPLQEEAJ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichlorophenyl)ethylamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.0439 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.051176 155.4
[M+Na]+ 269.033118 162.9
[M-H]- 245.036624 158.8
[M+NH4]+ 264.077723 173.2
[M+K]+ 285.007058 157.5
[M+H-H2O]+ 229.041160 150.3
[M+HCOO]- 291.042101 173.7
[M+CH3COO]- 305.057751 202.5
[M+Na-2H]- 267.018566 158.7
[M]+ 246.04335142 154.8
[M]- 246.04444858 154.8
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