CID 71758632

3-chloro-2,4,6-trifluoroaniline

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=C(C(=C(C(=C1F)Cl)F)N)F
InChI
InChI=1S/C6H3ClF3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2
InChIKey
IZVNZHYBSJJGAI-UHFFFAOYSA-N
Compound name
3-chloro-2,4,6-trifluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.99062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.99790 130.6
[M+Na]+ 203.97984 141.8
[M+NH4]+ 199.02444 137.6
[M+K]+ 219.95378 135.8
[M-H]- 179.98334 129.4
[M+Na-2H]- 201.96529 135.8
[M]+ 180.99007 131.8
[M]- 180.99117 131.8
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

No patent data available for this compound.