CID 58813053

1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H8F3NO3
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])(C(F)(F)F)O
InChI
InChI=1S/C9H8F3NO3/c1-8(14,9(10,11)12)6-2-4-7(5-3-6)13(15)16/h2-5,14H,1H3
InChIKey
VUESJESTGDDESM-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

235.04562 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05290 142.2
[M+Na]+ 258.03484 150.9
[M+NH4]+ 253.07944 146.9
[M+K]+ 274.00878 150.1
[M-H]- 234.03834 139.1
[M+Na-2H]- 256.02029 146.0
[M]+ 235.04507 142.2
[M]- 235.04617 142.2
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