CID 81531839

1510965-06-6

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1CC2CC1C3=C2N=C(C(=C3)C#N)Cl
InChI
InChI=1S/C11H9ClN2/c12-11-8(5-13)4-9-6-1-2-7(3-6)10(9)14-11/h4,6-7H,1-3H2
InChIKey
AFMFLAFHRUXVRV-UHFFFAOYSA-N
Compound name
4-chloro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.04543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05271 147.3
[M+Na]+ 227.03465 161.3
[M-H]- 203.03815 149.6
[M+NH4]+ 222.07925 170.1
[M+K]+ 243.00859 152.1
[M+H-H2O]+ 187.04269 135.9
[M+HCOO]- 249.04363 160.5
[M+CH3COO]- 263.05928 159.4
[M+Na-2H]- 225.02010 150.9
[M]+ 204.04488 144.4
[M]- 204.04598 144.4
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