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

4
Patents

212.99684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00412 134.6
[M+Na]+ 235.98606 146.3
[M-H]- 211.98956 133.5
[M+NH4]+ 231.03066 154.3
[M+K]+ 251.96000 141.1
[M+H-H2O]+ 195.99410 127.3
[M+HCOO]- 257.99504 149.8
[M+CH3COO]- 272.01069 187.5
[M+Na-2H]- 233.97151 138.8
[M]+ 212.99629 129.8
[M]- 212.99739 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