CID 32114

23892-33-3

Structural Information

Molecular Formula
C15H17ClN2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NCCN
InChI
InChI=1S/C15H17ClN2/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2
InChIKey
SDIDMUGFQCMLAB-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.10803 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11531 159.9
[M+Na]+ 283.09725 165.9
[M-H]- 259.10075 165.5
[M+NH4]+ 278.14185 176.4
[M+K]+ 299.07119 159.8
[M+H-H2O]+ 243.10529 152.8
[M+HCOO]- 305.10623 179.8
[M+CH3COO]- 319.12188 199.9
[M+Na-2H]- 281.08270 164.6
[M]+ 260.10748 159.0
[M]- 260.10858 159.0
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