CID 577801

722-92-9

Structural Information

Molecular Formula
C9H7F6NO
SMILES
C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,17H,16H2
InChIKey
TZEJXCIGVMTMDY-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

832
Patents

259.04318 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05046 148.2
[M+Na]+ 282.03240 156.9
[M-H]- 258.03590 142.8
[M+NH4]+ 277.07700 163.7
[M+K]+ 298.00634 153.0
[M+H-H2O]+ 242.04044 138.5
[M+HCOO]- 304.04138 160.5
[M+CH3COO]- 318.05703 193.2
[M+Na-2H]- 280.01785 153.1
[M]+ 259.04263 136.9
[M]- 259.04373 136.9
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