CID 12667938

4-iodo-2-isopropylaniline

Structural Information

Molecular Formula
C9H12IN
SMILES
CC(C)C1=C(C=CC(=C1)I)N
InChI
InChI=1S/C9H12IN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,11H2,1-2H3
InChIKey
DWQGELZWNCZPIP-UHFFFAOYSA-N
Compound name
4-iodo-2-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

261.00146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00874 143.6
[M+Na]+ 283.99068 148.4
[M+NH4]+ 279.03528 148.3
[M+K]+ 299.96462 145.2
[M-H]- 259.99418 140.4
[M+Na-2H]- 281.97613 137.5
[M]+ 261.00091 142.3
[M]- 261.00201 142.3
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

patents stripe