CID 71464110

2,4-difluoro-3-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4F5NO
SMILES
C1=CC(=C(C(=C1N)F)OC(F)(F)F)F
InChI
InChI=1S/C7H4F5NO/c8-3-1-2-4(13)5(9)6(3)14-7(10,11)12/h1-2H,13H2
InChIKey
DLNBIWVODBUKEY-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02858 135.6
[M+Na]+ 236.01052 146.5
[M-H]- 212.01402 133.3
[M+NH4]+ 231.05512 154.2
[M+K]+ 251.98446 143.4
[M+H-H2O]+ 196.01856 126.2
[M+HCOO]- 258.01950 154.3
[M+CH3COO]- 272.03515 188.7
[M+Na-2H]- 233.99597 139.5
[M]+ 213.02075 128.8
[M]- 213.02185 128.8
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.