CID 72404366

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

Structural Information

Molecular Formula
C7H4ClF4N
SMILES
C1=C(C(=CC(=C1N)F)Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
InChIKey
FTWJRPLRTPYTJN-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.99684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.004116 134.6
[M+Na]+ 235.986058 146.3
[M-H]- 211.989564 133.5
[M+NH4]+ 231.030663 154.3
[M+K]+ 251.959998 141.1
[M+H-H2O]+ 195.994100 127.3
[M+HCOO]- 257.995041 149.8
[M+CH3COO]- 272.010691 187.5
[M+Na-2H]- 233.971506 138.8
[M]+ 212.99629142 129.8
[M]- 212.99738858 129.8
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

patents stripe