CID 63897164

1-(2,6-difluorophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H6F5N
SMILES
C1=CC(=C(C(=C1)F)C(C(F)(F)F)N)F
InChI
InChI=1S/C8H6F5N/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3,7H,14H2
InChIKey
FQBIIQNIZSLNJU-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

211.04204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04932 137.3
[M+Na]+ 234.03126 146.6
[M-H]- 210.03476 134.6
[M+NH4]+ 229.07586 155.7
[M+K]+ 250.00520 143.3
[M+H-H2O]+ 194.03930 127.8
[M+HCOO]- 256.04024 154.5
[M+CH3COO]- 270.05589 189.4
[M+Na-2H]- 232.01671 140.2
[M]+ 211.04149 128.4
[M]- 211.04259 128.4
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

patents stripe