CID 12976987

1-iodo-8-methylnaphthalene

Structural Information

Molecular Formula
C11H9I
SMILES
CC1=C2C(=CC=C1)C=CC=C2I
InChI
InChI=1S/C11H9I/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-7H,1H3
InChIKey
IKHCWKTUYGFZRY-UHFFFAOYSA-N
Compound name
1-iodo-8-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

267.9749 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98218 135.5
[M+Na]+ 290.96412 138.0
[M-H]- 266.96762 133.2
[M+NH4]+ 286.00872 152.7
[M+K]+ 306.93806 140.5
[M+H-H2O]+ 250.97216 126.4
[M+HCOO]- 312.97310 154.0
[M+CH3COO]- 326.98875 188.5
[M+Na-2H]- 288.94957 132.4
[M]+ 267.97435 133.1
[M]- 267.97545 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe