CID 21853965

7-chloro-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CNC2=C(CN1)C=C(C=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
InChIKey
UZKODBURRKASTJ-UHFFFAOYSA-N
Compound name
7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

182.06108 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 133.4
[M+Na]+ 205.05030 144.9
[M+NH4]+ 200.09490 141.7
[M+K]+ 221.02424 139.4
[M-H]- 181.05380 134.6
[M+Na-2H]- 203.03575 139.6
[M]+ 182.06053 135.6
[M]- 182.06163 135.6
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

patents stripe