CID 126972897

N-ethyl-3-fluoro-2-iodoaniline

Structural Information

Molecular Formula
C8H9FIN
SMILES
CCNC1=C(C(=CC=C1)F)I
InChI
InChI=1S/C8H9FIN/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5,11H,2H2,1H3
InChIKey
DHOFZRDHLCYTQO-UHFFFAOYSA-N
Compound name
N-ethyl-3-fluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97638 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98366 140.1
[M+Na]+ 287.96560 141.5
[M-H]- 263.96910 135.9
[M+NH4]+ 283.01020 156.1
[M+K]+ 303.93954 145.0
[M+H-H2O]+ 247.97364 130.1
[M+HCOO]- 309.97458 159.4
[M+CH3COO]- 323.99023 189.5
[M+Na-2H]- 285.95105 134.3
[M]+ 264.97583 136.1
[M]- 264.97693 136.1
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

No patent data available for this compound.