CID 12589774

4-chloro-2,3,5,6-tetrafluoroaniline

Structural Information

Molecular Formula
C6H2ClF4N
SMILES
C1(=C(C(=C(C(=C1F)F)Cl)F)F)N
InChI
InChI=1S/C6H2ClF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
KNRIBPGPMVZBDZ-UHFFFAOYSA-N
Compound name
4-chloro-2,3,5,6-tetrafluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.98119 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.98847 128.6
[M+Na]+ 221.97041 142.0
[M-H]- 197.97391 128.0
[M+NH4]+ 217.01501 149.3
[M+K]+ 237.94435 136.8
[M+H-H2O]+ 181.97845 121.5
[M+HCOO]- 243.97939 145.7
[M+CH3COO]- 257.99504 187.2
[M+Na-2H]- 219.95586 131.4
[M]+ 198.98064 124.9
[M]- 198.98174 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe