CID 57987549

2-azido-4-iodo-1-methylbenzene

Structural Information

Molecular Formula
C7H6IN3
SMILES
CC1=C(C=C(C=C1)I)N=[N+]=[N-]
InChI
InChI=1S/C7H6IN3/c1-5-2-3-6(8)4-7(5)10-11-9/h2-4H,1H3
InChIKey
BSGILPHDXMYMMB-UHFFFAOYSA-N
Compound name
2-azido-4-iodo-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

258.96063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.967906 143.0
[M+Na]+ 281.949848 144.3
[M-H]- 257.953354 142.7
[M+NH4]+ 276.994453 159.5
[M+K]+ 297.923788 144.4
[M+H-H2O]+ 241.957890 137.3
[M+HCOO]- 303.958831 168.8
[M+CH3COO]- 317.974481 189.1
[M+Na-2H]- 279.935296 140.7
[M]+ 258.96008142 138.5
[M]- 258.96117858 138.5
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