CID 135396190

2-chloro-6-ethynylnaphthalene

Structural Information

Molecular Formula
C12H7Cl
SMILES
C#CC1=CC2=C(C=C1)C=C(C=C2)Cl
InChI
InChI=1S/C12H7Cl/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h1,3-8H
InChIKey
XXHCDQUXBIMZML-UHFFFAOYSA-N
Compound name
2-chloro-6-ethynylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03090 139.6
[M+Na]+ 209.01284 153.2
[M-H]- 185.01634 142.8
[M+NH4]+ 204.05744 159.4
[M+K]+ 224.98678 144.5
[M+H-H2O]+ 169.02088 129.2
[M+HCOO]- 231.02182 153.4
[M+CH3COO]- 245.03747 152.2
[M+Na-2H]- 206.99829 146.3
[M]+ 186.02307 136.0
[M]- 186.02417 136.0
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.