CID 12294035

Phenol, 4-(heptafluoropropyl)-2-nitro-

Structural Information

Molecular Formula
C9H4F7NO3
SMILES
C1=CC(=C(C=C1C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-])O
InChI
InChI=1S/C9H4F7NO3/c10-7(11,8(12,13)9(14,15)16)4-1-2-6(18)5(3-4)17(19)20/h1-3,18H
InChIKey
LMVJJFCXLDHFRV-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,3-heptafluoropropyl)-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.00793 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.01521 165.5
[M+Na]+ 329.99715 169.1
[M+NH4]+ 325.04175 166.2
[M+K]+ 345.97109 168.5
[M-H]- 306.00065 158.5
[M+Na-2H]- 327.98260 165.2
[M]+ 307.00738 163.6
[M]- 307.00848 163.6
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