CID 211762

Dtxsid30946341

Structural Information

Molecular Formula
C14H12Cl2N2
SMILES
CC1=C(C=C(C=C1)N=C(C2=CC=CC=C2Cl)N)Cl
InChI
InChI=1S/C14H12Cl2N2/c1-9-6-7-10(8-13(9)16)18-14(17)11-4-2-3-5-12(11)15/h2-8H,1H3,(H2,17,18)
InChIKey
QBLVLEGTQGQSTE-UHFFFAOYSA-N
Compound name
2-chloro-N'-(3-chloro-4-methylphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03775 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.045026 162.2
[M+Na]+ 301.026968 171.7
[M-H]- 277.030474 169.3
[M+NH4]+ 296.071573 179.7
[M+K]+ 317.000908 164.9
[M+H-H2O]+ 261.035010 156.2
[M+HCOO]- 323.035951 179.0
[M+CH3COO]- 337.051601 204.5
[M+Na-2H]- 299.012416 165.5
[M]+ 278.03720142 164.2
[M]- 278.03829858 164.2
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

No patent data available for this compound.