CID 13470473

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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

No literature data available for this compound.

Patent stripe

patents stripe