CID 20517494

2-iodo-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H12IN
SMILES
CC(C)NC1=CC=CC=C1I
InChI
InChI=1S/C9H12IN/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKey
LEQFLIHYPJQSFX-UHFFFAOYSA-N
Compound name
2-iodo-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

261.00146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00874 144.0
[M+Na]+ 283.99068 143.9
[M-H]- 259.99418 140.7
[M+NH4]+ 279.03528 159.9
[M+K]+ 299.96462 147.9
[M+H-H2O]+ 243.99872 134.6
[M+HCOO]- 305.99966 163.0
[M+CH3COO]- 320.01531 189.5
[M+Na-2H]- 281.97613 137.7
[M]+ 261.00091 140.4
[M]- 261.00201 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe