CID 79769159

4-fluoro-2-iodo-n-(2-methylpropyl)aniline hydrochloride

Structural Information

Molecular Formula
C10H13FIN
SMILES
CC(C)CNC1=C(C=C(C=C1)F)I
InChI
InChI=1S/C10H13FIN/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKey
XAYUKNOZHKREEK-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodo-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01498 149.9
[M+Na]+ 315.99692 150.3
[M-H]- 292.00042 145.4
[M+NH4]+ 311.04152 164.8
[M+K]+ 331.97086 153.7
[M+H-H2O]+ 276.00496 139.6
[M+HCOO]- 338.00590 167.6
[M+CH3COO]- 352.02155 196.0
[M+Na-2H]- 313.98237 141.9
[M]+ 293.00715 145.9
[M]- 293.00825 145.9
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

No patent data available for this compound.