CID 4252458

1-iodo-2,6-dimethylnaphthalene

Structural Information

Molecular Formula
C12H11I
SMILES
CC1=CC2=C(C=C1)C(=C(C=C2)C)I
InChI
InChI=1S/C12H11I/c1-8-3-6-11-10(7-8)5-4-9(2)12(11)13/h3-7H,1-2H3
InChIKey
NZIOZUJLJOIMRJ-UHFFFAOYSA-N
Compound name
1-iodo-2,6-dimethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

281.99054 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99782 139.3
[M+Na]+ 304.97976 142.3
[M-H]- 280.98326 137.3
[M+NH4]+ 300.02436 156.4
[M+K]+ 320.95370 144.6
[M+H-H2O]+ 264.98780 130.2
[M+HCOO]- 326.98874 157.5
[M+CH3COO]- 341.00439 192.4
[M+Na-2H]- 302.96521 135.1
[M]+ 281.98999 137.7
[M]- 281.99109 137.7
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