CID 21257594

2,3-dichloro-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4Cl2F3N
SMILES
C1=CC(=C(C(=C1C(F)(F)F)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2F3N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2
InChIKey
NESDKBLXQJESKV-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

228.96729 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.974566 137.7
[M+Na]+ 251.956508 149.6
[M-H]- 227.960014 137.3
[M+NH4]+ 247.001113 157.3
[M+K]+ 267.930448 143.4
[M+H-H2O]+ 211.964550 132.1
[M+HCOO]- 273.965491 149.0
[M+CH3COO]- 287.981141 189.3
[M+Na-2H]- 249.941956 141.8
[M]+ 228.96674142 135.4
[M]- 228.96783858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe