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

15
Patents

211.04204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.049316 137.3
[M+Na]+ 234.031258 146.6
[M-H]- 210.034764 134.6
[M+NH4]+ 229.075863 155.7
[M+K]+ 250.005198 143.3
[M+H-H2O]+ 194.039300 127.8
[M+HCOO]- 256.040241 154.5
[M+CH3COO]- 270.055891 189.4
[M+Na-2H]- 232.016706 140.2
[M]+ 211.04149142 128.4
[M]- 211.04258858 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