CID 60922152

N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H8F5N
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NCC(F)F
InChI
InChI=1S/C9H8F5N/c10-8(11)5-15-7-4-2-1-3-6(7)9(12,13)14/h1-4,8,15H,5H2
InChIKey
ZCNVRRRMBCAJMU-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06498 141.8
[M+Na]+ 248.04692 149.7
[M-H]- 224.05042 139.0
[M+NH4]+ 243.09152 159.6
[M+K]+ 264.02086 146.4
[M+H-H2O]+ 208.05496 131.8
[M+HCOO]- 270.05590 159.3
[M+CH3COO]- 284.07155 191.9
[M+Na-2H]- 246.03237 145.8
[M]+ 225.05715 133.9
[M]- 225.05825 133.9
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.