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 126.5
[M+Na]+ 203.97984 139.0
[M-H]- 179.98334 126.9
[M+NH4]+ 199.02444 147.7
[M+K]+ 219.95378 134.1
[M+H-H2O]+ 163.98788 120.1
[M+HCOO]- 225.98882 144.7
[M+CH3COO]- 240.00447 183.1
[M+Na-2H]- 201.96529 130.6
[M]+ 180.99007 123.6
[M]- 180.99117 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