CID 12301245

3,4-dichlorobenzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C7H6Cl2N2
SMILES
C1=CC(=C(C=C1C(=N)N)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H3,10,11)
InChIKey
CPEZERFURQWJFJ-UHFFFAOYSA-N
Compound name
3,4-dichlorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

187.9908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 136.3
[M+Na]+ 210.98002 145.8
[M-H]- 186.98352 139.3
[M+NH4]+ 206.02462 156.6
[M+K]+ 226.95396 140.2
[M+H-H2O]+ 170.98806 132.7
[M+HCOO]- 232.98900 152.4
[M+CH3COO]- 247.00465 185.2
[M+Na-2H]- 208.96547 140.9
[M]+ 187.99025 135.5
[M]- 187.99135 135.5
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