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 165.9
[M+Na]+ 332.96075 170.3
[M-H]- 308.96425 166.1
[M+NH4]+ 328.00535 175.4
[M+K]+ 348.93469 171.5
[M+H-H2O]+ 292.96879 148.1
[M+HCOO]- 354.96973 177.6
[M+CH3COO]- 368.98538 228.3
[M+Na-2H]- 330.94620 159.9
[M]+ 309.97098 157.2
[M]- 309.97208 157.2
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.