CID 57468036

1052707-24-0

Structural Information

Molecular Formula
C14H14Cl2N2
SMILES
C1=CC=C(C(=C1)[C@@H]([C@H](C2=CC=CC=C2Cl)N)N)Cl
InChI
InChI=1S/C14H14Cl2N2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14H,17-18H2/t13-,14-/m0/s1
InChIKey
BMALUZKOHRPBTN-KBPBESRZSA-N
Compound name
(1S,2S)-1,2-bis(2-chlorophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

280.0534 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe