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]+ 203.037046 139.5
[M+Na]+ 225.018988 150.1
[M-H]- 201.022494 140.1
[M+NH4]+ 220.063593 158.6
[M+K]+ 240.992928 143.5
[M+H-H2O]+ 185.027030 132.6
[M+HCOO]- 247.027971 152.9
[M+CH3COO]- 261.043621 151.9
[M+Na-2H]- 223.004436 150.1
[M]+ 202.02922142 140.0
[M]- 202.03031858 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.