CID 11031766

2-iodo-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H8IN
SMILES
CNC1=CC=CC=C1I
InChI
InChI=1S/C7H8IN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
WSLMOORTNOTZCO-UHFFFAOYSA-N
Compound name
2-iodo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

232.97015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97743 134.2
[M+Na]+ 255.95937 135.1
[M-H]- 231.96287 131.1
[M+NH4]+ 251.00397 151.2
[M+K]+ 271.93331 139.2
[M+H-H2O]+ 215.96741 125.1
[M+HCOO]- 277.96835 154.8
[M+CH3COO]- 291.98400 183.0
[M+Na-2H]- 253.94482 130.1
[M]+ 232.96960 130.5
[M]- 232.97070 130.5
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