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]+ 181.997896 126.5
[M+Na]+ 203.979838 139.0
[M-H]- 179.983344 126.9
[M+NH4]+ 199.024443 147.7
[M+K]+ 219.953778 134.1
[M+H-H2O]+ 163.987880 120.1
[M+HCOO]- 225.988821 144.7
[M+CH3COO]- 240.004471 183.1
[M+Na-2H]- 201.965286 130.6
[M]+ 180.99007142 123.6
[M]- 180.99116858 123.6
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