CID 45282673

1-(2,5-difluorophenyl)-2,2-difluoroethan-1-amine

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=CC(=C(C=C1F)C(C(F)F)N)F
InChI
InChI=1S/C8H7F4N/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8H,13H2
InChIKey
KEZCRGUNLBJCLU-UHFFFAOYSA-N
Compound name
1-(2,5-difluorophenyl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

193.05147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 134.7
[M+Na]+ 216.04069 143.2
[M-H]- 192.04419 133.1
[M+NH4]+ 211.08529 153.7
[M+K]+ 232.01463 140.3
[M+H-H2O]+ 176.04873 125.6
[M+HCOO]- 238.04967 153.6
[M+CH3COO]- 252.06532 187.6
[M+Na-2H]- 214.02614 136.3
[M]+ 193.05092 127.1
[M]- 193.05202 127.1
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