CID 12786

2,3,5,6-tetrafluoroaniline

Structural Information

Molecular Formula
C6H3F4N
SMILES
C1=C(C(=C(C(=C1F)F)N)F)F
InChI
InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKey
SPSWJTZNOXMMMV-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

441
Patents

165.02016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.027436 123.8
[M+Na]+ 188.009378 135.6
[M-H]- 164.012884 123.2
[M+NH4]+ 183.053983 144.8
[M+K]+ 203.983318 132.3
[M+H-H2O]+ 148.017420 115.6
[M+HCOO]- 210.018361 145.4
[M+CH3COO]- 224.034011 182.2
[M+Na-2H]- 185.994826 127.7
[M]+ 165.01961142 117.6
[M]- 165.02070858 117.6
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