CID 60922011

N-(2,2-difluoroethyl)-2-iodoaniline

Structural Information

Molecular Formula
C8H8F2IN
SMILES
C1=CC=C(C(=C1)NCC(F)F)I
InChI
InChI=1S/C8H8F2IN/c9-8(10)5-12-7-4-2-1-3-6(7)11/h1-4,8,12H,5H2
InChIKey
LRAAPJIFUOQPIV-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.96695 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97423 143.2
[M+Na]+ 305.95617 143.5
[M-H]- 281.95967 137.3
[M+NH4]+ 301.00077 158.1
[M+K]+ 321.93011 146.9
[M+H-H2O]+ 265.96421 132.0
[M+HCOO]- 327.96515 160.5
[M+CH3COO]- 341.98080 191.8
[M+Na-2H]- 303.94162 136.4
[M]+ 282.96640 137.1
[M]- 282.96750 137.1
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.