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

2027
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.