CID 10400615

1h-pyrrol-2-yl(perfluoropropyl)methanol

Structural Information

Molecular Formula
C8H6F7NO
SMILES
C1=CNC(=C1)C(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H6F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)4-2-1-3-16-4/h1-3,5,16-17H
InChIKey
YYGDMWPVPDWMPY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

265.03375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04103 146.9
[M+Na]+ 288.02297 154.9
[M-H]- 264.02647 137.9
[M+NH4]+ 283.06757 161.9
[M+K]+ 303.99691 151.1
[M+H-H2O]+ 248.03101 136.5
[M+HCOO]- 310.03195 155.1
[M+CH3COO]- 324.04760 189.4
[M+Na-2H]- 286.00842 149.7
[M]+ 265.03320 134.0
[M]- 265.03430 134.0
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