CID 23347342

1-(4-chlorophenyl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C8H11ClN2
SMILES
C1=CC(=CC=C1C(CN)N)Cl
InChI
InChI=1S/C8H11ClN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,10-11H2
InChIKey
DYQPAVDDRLNLKW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

170.06108 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 135.5
[M+Na]+ 193.05030 143.1
[M-H]- 169.05380 138.2
[M+NH4]+ 188.09490 155.8
[M+K]+ 209.02424 139.1
[M+H-H2O]+ 153.05834 130.6
[M+HCOO]- 215.05928 155.6
[M+CH3COO]- 229.07493 182.5
[M+Na-2H]- 191.03575 140.1
[M]+ 170.06053 133.3
[M]- 170.06163 133.3
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