CID 632603

83558-87-6

Structural Information

Molecular Formula
C15H12F6N2O2
SMILES
C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)N)(C(F)(F)F)C(F)(F)F)N)O
InChI
InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
InChIKey
MSTZGVRUOMBULC-UHFFFAOYSA-N
Compound name
2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9911
Patents

366.0803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08758 182.1
[M+Na]+ 389.06952 185.7
[M+NH4]+ 384.11412 182.9
[M+K]+ 405.04346 183.3
[M-H]- 365.07302 176.3
[M+Na-2H]- 387.05497 182.6
[M]+ 366.07975 180.5
[M]- 366.08085 180.5
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