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

9
Patents

265.0425 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04978 157.2
[M+Na]+ 288.03172 166.1
[M-H]- 264.03522 162.9
[M+NH4]+ 283.07632 174.9
[M+K]+ 304.00566 158.8
[M+H-H2O]+ 248.03976 151.2
[M+HCOO]- 310.04070 172.8
[M+CH3COO]- 324.05635 169.3
[M+Na-2H]- 286.01717 162.7
[M]+ 265.04195 159.8
[M]- 265.04305 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