CID 365940

Nsc634083

Structural Information

Molecular Formula
C11H7ClN2
SMILES
C1=CC2=NC=C(C3=C2C(=C1)NC=C3)Cl
InChI
InChI=1S/C11H7ClN2/c12-8-6-14-10-3-1-2-9-11(10)7(8)4-5-13-9/h1-6,13H
InChIKey
LAQNTNPRIXVDOH-UHFFFAOYSA-N
Compound name
4-chloro-2,8-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),6,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02977 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03705 139.5
[M+Na]+ 225.01899 150.1
[M-H]- 201.02249 140.1
[M+NH4]+ 220.06359 158.6
[M+K]+ 240.99293 143.5
[M+H-H2O]+ 185.02703 132.6
[M+HCOO]- 247.02797 152.9
[M+CH3COO]- 261.04362 151.9
[M+Na-2H]- 223.00444 150.1
[M]+ 202.02922 140.0
[M]- 202.03032 140.0
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.