CID 84039380

6-chloronaphthalene-2-carbonitrile

Structural Information

Molecular Formula
C11H6ClN
SMILES
C1=CC2=C(C=CC(=C2)Cl)C=C1C#N
InChI
InChI=1S/C11H6ClN/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-6H
InChIKey
VIJMEUNAVBOWBY-UHFFFAOYSA-N
Compound name
6-chloronaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

187.01888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.026156 139.8
[M+Na]+ 210.008098 153.2
[M-H]- 186.011604 144.1
[M+NH4]+ 205.052703 159.8
[M+K]+ 225.982038 145.6
[M+H-H2O]+ 170.016140 128.8
[M+HCOO]- 232.017081 156.0
[M+CH3COO]- 246.032731 152.7
[M+Na-2H]- 207.993546 147.5
[M]+ 187.01833142 136.8
[M]- 187.01942858 136.8
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