CID 7020754

129041-31-2

Structural Information

Molecular Formula
C14H13Cl2N
SMILES
C1=CC(=CC(=C1)Cl)CNCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H13Cl2N/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8,17H,9-10H2
InChIKey
DNKUGPCGNWRIJJ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

265.0425 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.049776 157.2
[M+Na]+ 288.031718 166.1
[M-H]- 264.035224 162.9
[M+NH4]+ 283.076323 174.9
[M+K]+ 304.005658 158.8
[M+H-H2O]+ 248.039760 151.2
[M+HCOO]- 310.040701 172.8
[M+CH3COO]- 324.056351 169.3
[M+Na-2H]- 286.017166 162.7
[M]+ 265.04195142 159.8
[M]- 265.04304858 159.8
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