CID 3041151

Brn 0823758

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C=CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H12Cl2N2O/c1-2-21-15-8-7-11(18)9-13(15)17(20-10-16(21)22)12-5-3-4-6-14(12)19/h2-9H,1,10H2
InChIKey
FFLIDYVPADXGSX-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-1-ethenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03265 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03993 171.2
[M+Na]+ 353.02187 183.3
[M-H]- 329.02537 176.5
[M+NH4]+ 348.06647 184.8
[M+K]+ 368.99581 179.9
[M+H-H2O]+ 313.02991 162.6
[M+HCOO]- 375.03085 181.3
[M+CH3COO]- 389.04650 182.2
[M+Na-2H]- 351.00732 174.7
[M]+ 330.03210 171.7
[M]- 330.03320 171.7
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

No patent data available for this compound.