CID 68631386

2260936-07-8

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

13
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 136.8
[M+Na]+ 273.94994 141.6
[M+NH4]+ 268.99454 141.3
[M+K]+ 289.92388 138.1
[M-H]- 249.95344 132.6
[M+Na-2H]- 271.93539 131.4
[M]+ 250.96017 135.1
[M]- 250.96127 135.1
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