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

15
Patents

250.96072 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96800 135.2
[M+Na]+ 273.94994 137.0
[M-H]- 249.95344 131.1
[M+NH4]+ 268.99454 151.7
[M+K]+ 289.92388 140.7
[M+H-H2O]+ 233.95798 125.4
[M+HCOO]- 295.95892 154.8
[M+CH3COO]- 309.97457 186.6
[M+Na-2H]- 271.93539 130.0
[M]+ 250.96017 130.8
[M]- 250.96127 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