CID 522802

5-iodo-2-methylaniline

Structural Information

Molecular Formula
C7H8IN
SMILES
CC1=C(C=C(C=C1)I)N
InChI
InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey
IOEHXNCBPIBDBZ-UHFFFAOYSA-N
Compound name
5-iodo-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

232.97015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97743 133.5
[M+Na]+ 255.95937 138.9
[M+NH4]+ 251.00397 138.6
[M+K]+ 271.93331 135.6
[M-H]- 231.96287 130.6
[M+Na-2H]- 253.94482 128.4
[M]+ 232.96960 132.4
[M]- 232.97070 132.4
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