CID 103439299

N-cyclopropyl-4-fluoro-2-iodoaniline

Structural Information

Molecular Formula
C9H9FIN
SMILES
C1CC1NC2=C(C=C(C=C2)F)I
InChI
InChI=1S/C9H9FIN/c10-6-1-4-9(8(11)5-6)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKey
BVNDHALFCGYFJP-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-fluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.97638 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98366 137.7
[M+Na]+ 299.96560 140.7
[M-H]- 275.96910 137.5
[M+NH4]+ 295.01020 148.8
[M+K]+ 315.93954 142.9
[M+H-H2O]+ 259.97364 127.1
[M+HCOO]- 321.97458 157.5
[M+CH3COO]- 335.99023 193.7
[M+Na-2H]- 297.95105 133.0
[M]+ 276.97583 135.3
[M]- 276.97693 135.3
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.