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]+ 248.98833 139.6
[M+Na]+ 270.97027 143.8
[M+NH4]+ 266.01487 144.2
[M+K]+ 286.94421 140.7
[M-H]- 246.97377 136.9
[M+Na-2H]- 268.95572 134.0
[M]+ 247.98050 138.3
[M]- 247.98160 138.3
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.