CID 1268255

2,4-dichloro-6-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

228.96729 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97457 137.7
[M+Na]+ 251.95651 149.6
[M-H]- 227.96001 137.3
[M+NH4]+ 247.00111 157.3
[M+K]+ 267.93045 143.4
[M+H-H2O]+ 211.96455 132.1
[M+HCOO]- 273.96549 149.0
[M+CH3COO]- 287.98114 189.3
[M+Na-2H]- 249.94196 141.8
[M]+ 228.96674 135.4
[M]- 228.96784 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