CID 4071443

186342-86-9

Structural Information

Molecular Formula
C7H5Cl3N2
SMILES
C1=C(C=C(C(=C1Cl)C(=N)N)Cl)Cl
InChI
InChI=1S/C7H5Cl3N2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H3,11,12)
InChIKey
XCBSCVLZFUKVOY-UHFFFAOYSA-N
Compound name
2,4,6-trichlorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.95183 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95911 143.3
[M+Na]+ 244.94105 153.5
[M-H]- 220.94455 145.2
[M+NH4]+ 239.98565 162.4
[M+K]+ 260.91499 147.1
[M+H-H2O]+ 204.94909 140.6
[M+HCOO]- 266.95003 153.8
[M+CH3COO]- 280.96568 191.8
[M+Na-2H]- 242.92650 145.9
[M]+ 221.95128 142.9
[M]- 221.95238 142.9
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

patents stripe