CID 52755

Brn 2717914

Structural Information

Molecular Formula
C9H12Cl2N2
SMILES
CN(C)C(NC1=CC=CC=C1)(Cl)Cl
InChI
InChI=1S/C9H12Cl2N2/c1-13(2)9(10,11)12-8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKey
DBSKJJRHWYTCIU-UHFFFAOYSA-N
Compound name
1,1-dichloro-N',N'-dimethyl-N-phenylmethanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03775 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.045026 146.3
[M+Na]+ 241.026968 153.7
[M-H]- 217.030474 150.5
[M+NH4]+ 236.071573 166.0
[M+K]+ 257.000908 149.8
[M+H-H2O]+ 201.035010 141.7
[M+HCOO]- 263.035951 162.1
[M+CH3COO]- 277.051601 193.3
[M+Na-2H]- 239.012416 153.4
[M]+ 218.03720142 148.6
[M]- 218.03829858 148.6
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.