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

62
Patents

281.99054 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.997816 139.3
[M+Na]+ 304.979758 142.3
[M-H]- 280.983264 137.3
[M+NH4]+ 300.024363 156.4
[M+K]+ 320.953698 144.6
[M+H-H2O]+ 264.987800 130.2
[M+HCOO]- 326.988741 157.5
[M+CH3COO]- 341.004391 192.4
[M+Na-2H]- 302.965206 135.1
[M]+ 281.98999142 137.7
[M]- 281.99108858 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