CID 3043773

Brn 2735995

Structural Information

Molecular Formula
C14H14Cl2N2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C(Cl)Cl)N
InChI
InChI=1S/C14H14Cl2N2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,13-14H,17-18H2
InChIKey
DBCNRYBAIKNTER-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)-2,2-dichloroethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0534 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06068 162.5
[M+Na]+ 303.04262 170.0
[M-H]- 279.04612 167.4
[M+NH4]+ 298.08722 178.6
[M+K]+ 319.01656 163.1
[M+H-H2O]+ 263.05066 156.9
[M+HCOO]- 325.05160 176.1
[M+CH3COO]- 339.06725 202.7
[M+Na-2H]- 301.02807 164.0
[M]+ 280.05285 161.6
[M]- 280.05395 161.6
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.