CID 68631386

4-fluoro-2-iodo-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7FIN
SMILES
CNC1=C(C=C(C=C1)F)I
InChI
InChI=1S/C7H7FIN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
URLVALRJWQDGJT-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

250.96072 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.967996 135.2
[M+Na]+ 273.949938 137.0
[M-H]- 249.953444 131.1
[M+NH4]+ 268.994543 151.7
[M+K]+ 289.923878 140.7
[M+H-H2O]+ 233.957980 125.4
[M+HCOO]- 295.958921 154.8
[M+CH3COO]- 309.974571 186.6
[M+Na-2H]- 271.935386 130.0
[M]+ 250.96017142 130.8
[M]- 250.96126858 130.8
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