CID 105558953

2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethan-1-amine

Structural Information

Molecular Formula
C6H5Cl2F2NS
SMILES
C1=C(SC(=C1C(CN)(F)F)Cl)Cl
InChI
InChI=1S/C6H5Cl2F2NS/c7-4-1-3(5(8)12-4)6(9,10)2-11/h1H,2,11H2
InChIKey
NJOXOKUSUBBTHM-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.94878 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95606 141.0
[M+Na]+ 253.93800 152.0
[M-H]- 229.94150 142.0
[M+NH4]+ 248.98260 162.4
[M+K]+ 269.91194 145.9
[M+H-H2O]+ 213.94604 136.3
[M+HCOO]- 275.94698 148.9
[M+CH3COO]- 289.96263 186.9
[M+Na-2H]- 251.92345 141.3
[M]+ 230.94823 141.6
[M]- 230.94933 141.6
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.