CID 23439383

3-fluoro-4-iodo-2-methylaniline

Structural Information

Molecular Formula
C7H7FIN
SMILES
CC1=C(C=CC(=C1F)I)N
InChI
InChI=1S/C7H7FIN/c1-4-6(10)3-2-5(9)7(4)8/h2-3H,10H2,1H3
InChIKey
NFJMWGRBWAJRLD-UHFFFAOYSA-N
Compound name
3-fluoro-4-iodo-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

250.96072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96800 135.8
[M+Na]+ 273.94994 138.6
[M-H]- 249.95344 131.7
[M+NH4]+ 268.99454 152.5
[M+K]+ 289.92388 142.0
[M+H-H2O]+ 233.95798 126.3
[M+HCOO]- 295.95892 154.9
[M+CH3COO]- 309.97457 187.1
[M+Na-2H]- 271.93539 128.9
[M]+ 250.96017 130.9
[M]- 250.96127 130.9
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

patents stripe