CID 86651063

2-amino-4-(pentafluoroethyl)phenol

Structural Information

Molecular Formula
C8H6F5NO
SMILES
C1=CC(=C(C=C1C(C(F)(F)F)(F)F)N)O
InChI
InChI=1S/C8H6F5NO/c9-7(10,8(11,12)13)4-1-2-6(15)5(14)3-4/h1-3,15H,14H2
InChIKey
KDWPFNLBFCMBAH-UHFFFAOYSA-N
Compound name
2-amino-4-(1,1,2,2,2-pentafluoroethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

227.03696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04424 140.7
[M+Na]+ 250.02618 150.3
[M-H]- 226.02968 136.8
[M+NH4]+ 245.07078 157.9
[M+K]+ 266.00012 146.5
[M+H-H2O]+ 210.03422 131.8
[M+HCOO]- 272.03516 156.1
[M+CH3COO]- 286.05081 188.5
[M+Na-2H]- 248.01163 145.2
[M]+ 227.03641 131.5
[M]- 227.03751 131.5
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