CID 11205909

2,2-difluoro-1-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9F2N
SMILES
C1=CC=C(C=C1)[C@@H](C(F)F)N
InChI
InChI=1S/C8H9F2N/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8H,11H2/t7-/m0/s1
InChIKey
DYKGDAUEEKXLNO-ZETCQYMHSA-N
Compound name
(1S)-2,2-difluoro-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

157.07031 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 130.0
[M+Na]+ 180.05953 136.5
[M-H]- 156.06303 130.4
[M+NH4]+ 175.10413 150.1
[M+K]+ 196.03347 134.5
[M+H-H2O]+ 140.06757 122.5
[M+HCOO]- 202.06851 151.2
[M+CH3COO]- 216.08416 179.6
[M+Na-2H]- 178.04498 134.3
[M]+ 157.06976 124.2
[M]- 157.07086 124.2
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