CID 79006288

1254038-63-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05147 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.058746 134.2
[M+Na]+ 216.040688 143.7
[M-H]- 192.044194 132.7
[M+NH4]+ 211.085293 153.4
[M+K]+ 232.014628 140.2
[M+H-H2O]+ 176.048730 125.6
[M+HCOO]- 238.049671 153.5
[M+CH3COO]- 252.065321 186.2
[M+Na-2H]- 214.026136 138.9
[M]+ 193.05092142 127.3
[M]- 193.05201858 127.3
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

No patent data available for this compound.