CID 92134673

3-iodo-n1-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9IN2
SMILES
CNC1=C(C(=CC=C1)I)N
InChI
InChI=1S/C7H9IN2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,9H2,1H3
InChIKey
RXEZVZDAYWCCOV-UHFFFAOYSA-N
Compound name
3-iodo-1-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98105 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.988326 142.0
[M+Na]+ 270.970268 143.0
[M-H]- 246.973774 138.7
[M+NH4]+ 266.014873 158.1
[M+K]+ 286.944208 146.6
[M+H-H2O]+ 230.978310 132.5
[M+HCOO]- 292.979251 162.8
[M+CH3COO]- 306.994901 188.1
[M+Na-2H]- 268.955716 136.1
[M]+ 247.98050142 136.9
[M]- 247.98159858 136.9
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.