CID 52755

73928-16-2

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]+ 219.04503 146.3
[M+Na]+ 241.02697 153.7
[M-H]- 217.03047 150.5
[M+NH4]+ 236.07157 166.0
[M+K]+ 257.00091 149.8
[M+H-H2O]+ 201.03501 141.7
[M+HCOO]- 263.03595 162.1
[M+CH3COO]- 277.05160 193.3
[M+Na-2H]- 239.01242 153.4
[M]+ 218.03720 148.6
[M]- 218.03830 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.