CID 11789560

2,2,2-trifluoro-1-(1h-pyrrol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H6F3NO
SMILES
C1=CNC(=C1)C(C(F)(F)F)O
InChI
InChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,5,10-11H
InChIKey
KHICFDIULXLQAY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

165.04015 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04743 128.6
[M+Na]+ 188.02937 136.6
[M-H]- 164.03287 124.5
[M+NH4]+ 183.07397 148.1
[M+K]+ 204.00331 133.9
[M+H-H2O]+ 148.03741 121.0
[M+HCOO]- 210.03835 145.0
[M+CH3COO]- 224.05400 170.5
[M+Na-2H]- 186.01482 132.8
[M]+ 165.03960 121.5
[M]- 165.04070 121.5
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