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

10
Patents

187.01888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02616 139.8
[M+Na]+ 210.00810 153.2
[M-H]- 186.01160 144.1
[M+NH4]+ 205.05270 159.8
[M+K]+ 225.98204 145.6
[M+H-H2O]+ 170.01614 128.8
[M+HCOO]- 232.01708 156.0
[M+CH3COO]- 246.03273 152.7
[M+Na-2H]- 207.99355 147.5
[M]+ 187.01833 136.8
[M]- 187.01943 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