CID 22352

((4-iodo-o-tolyl)azo)malononitrile

Structural Information

Molecular Formula
C10H7IN4
SMILES
CC1=C(C=CC(=C1)I)N=NC(C#N)C#N
InChI
InChI=1S/C10H7IN4/c1-7-4-8(11)2-3-10(7)15-14-9(5-12)6-13/h2-4,9H,1H3
InChIKey
MNLKRVUBQFLLRP-UHFFFAOYSA-N
Compound name
2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.97153 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97881 181.2
[M+Na]+ 332.96075 184.7
[M+NH4]+ 328.00535 179.5
[M+K]+ 348.93469 176.1
[M-H]- 308.96425 169.4
[M+Na-2H]- 330.94620 173.3
[M]+ 309.97098 176.6
[M]- 309.97208 176.6
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.