CID 130952278

5-chloro-4-fluoro-2-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4ClF4NO
SMILES
C1=C(C(=CC(=C1Cl)F)OC(F)(F)F)N
InChI
InChI=1S/C7H4ClF4NO/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2H,13H2
InChIKey
FNSPCIJTLFOXTD-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-2-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99904 137.6
[M+Na]+ 251.98098 149.2
[M-H]- 227.98448 136.5
[M+NH4]+ 247.02558 156.6
[M+K]+ 267.95492 144.6
[M+H-H2O]+ 211.98902 130.0
[M+HCOO]- 273.98996 153.0
[M+CH3COO]- 288.00561 189.6
[M+Na-2H]- 249.96643 141.8
[M]+ 228.99121 134.3
[M]- 228.99231 134.3
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.