CID 66064280

4-iodo-n1-methylbenzene-1,2-diamine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

247.98105 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98833 142.0
[M+Na]+ 270.97027 143.0
[M-H]- 246.97377 138.7
[M+NH4]+ 266.01487 158.1
[M+K]+ 286.94421 146.6
[M+H-H2O]+ 230.97831 132.5
[M+HCOO]- 292.97925 162.8
[M+CH3COO]- 306.99490 188.1
[M+Na-2H]- 268.95572 136.1
[M]+ 247.98050 136.9
[M]- 247.98160 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

patents stripe