CID 19799

(2,4-dichlorobenzyl)guanidine

Structural Information

Molecular Formula
C8H9Cl2N3
SMILES
C1=CC(=C(C=C1Cl)Cl)CN=C(N)N
InChI
InChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)
InChIKey
MIZQCZHCPNSFBI-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.01735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02463 146.5
[M+Na]+ 240.00657 155.2
[M-H]- 216.01007 150.1
[M+NH4]+ 235.05117 165.8
[M+K]+ 255.98051 150.0
[M+H-H2O]+ 200.01461 141.9
[M+HCOO]- 262.01555 164.1
[M+CH3COO]- 276.03120 194.3
[M+Na-2H]- 237.99202 150.0
[M]+ 217.01680 146.1
[M]- 217.01790 146.1
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