CID 62537231

1-(3,4-dichlorophenyl)-1,4-diazepane dihydrochloride

Structural Information

Molecular Formula
C11H14Cl2N2
SMILES
C1CNCCN(C1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2/c12-10-3-2-9(8-11(10)13)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKey
RNTRTWNFDBADFV-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.0534 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06068 149.2
[M+Na]+ 267.04262 161.6
[M+NH4]+ 262.08722 157.4
[M+K]+ 283.01656 155.0
[M-H]- 243.04612 151.9
[M+Na-2H]- 265.02807 156.6
[M]+ 244.05285 152.3
[M]- 244.05395 152.3
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