CID 20077496

2-iodo-3-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

232.97015 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe