CID 12635529

2,2-difluoro-2-phenylethylamine

Structural Information

Molecular Formula
C8H9F2N
SMILES
C1=CC=C(C=C1)C(CN)(F)F
InChI
InChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKey
FZUZAXBAUSXGAV-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

217
Patents

157.07031 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.077586 129.1
[M+Na]+ 180.059528 136.6
[M-H]- 156.063034 129.7
[M+NH4]+ 175.104133 149.4
[M+K]+ 196.033468 134.0
[M+H-H2O]+ 140.067570 122.0
[M+HCOO]- 202.068511 150.7
[M+CH3COO]- 216.084161 178.3
[M+Na-2H]- 178.044976 136.5
[M]+ 157.06976142 124.0
[M]- 157.07085858 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe