CID 13040

2,3,4,5,6-pentafluoroaniline

Structural Information

Molecular Formula
C6H2F5N
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)N
InChI
InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
NOXLGCOSAFGMDV-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluoroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

2270
Patents

183.01074 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01802 126.5
[M+Na]+ 205.99996 139.2
[M-H]- 182.00346 124.8
[M+NH4]+ 201.04456 146.8
[M+K]+ 221.97390 135.5
[M+H-H2O]+ 166.00800 117.5
[M+HCOO]- 228.00894 146.9
[M+CH3COO]- 242.02459 186.3
[M+Na-2H]- 203.98541 129.0
[M]+ 183.01019 119.4
[M]- 183.01129 119.4
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