CID 127013418

N-ethyl-4,5-difluoro-2-iodoaniline hydrochloride

Structural Information

Molecular Formula
C8H8F2IN
SMILES
CCNC1=CC(=C(C=C1I)F)F
InChI
InChI=1S/C8H8F2IN/c1-2-12-8-4-6(10)5(9)3-7(8)11/h3-4,12H,2H2,1H3
InChIKey
PNLDAOGLSDXEBD-UHFFFAOYSA-N
Compound name
N-ethyl-4,5-difluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.96695 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97423 141.2
[M+Na]+ 305.95617 143.6
[M-H]- 281.95967 136.0
[M+NH4]+ 301.00077 156.8
[M+K]+ 321.93011 146.6
[M+H-H2O]+ 265.96421 130.4
[M+HCOO]- 327.96515 159.5
[M+CH3COO]- 341.98080 193.2
[M+Na-2H]- 303.94162 134.3
[M]+ 282.96640 136.4
[M]- 282.96750 136.4
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.