CID 24845325

102367-04-4

Structural Information

Molecular Formula
C10H11F6NO
SMILES
CC1=CC=C(N1C)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H11F6NO/c1-6-3-4-7(17(6)2)5-8(18,9(11,12)13)10(14,15)16/h3-4,18H,5H2,1-2H3
InChIKey
MZZRFVAXFPFQTE-UHFFFAOYSA-N
Compound name
2-[(1,5-dimethylpyrrol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0745 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08178 153.8
[M+Na]+ 298.06372 163.6
[M-H]- 274.06722 147.9
[M+NH4]+ 293.10832 170.1
[M+K]+ 314.03766 160.1
[M+H-H2O]+ 258.07176 144.3
[M+HCOO]- 320.07270 164.9
[M+CH3COO]- 334.08835 195.8
[M+Na-2H]- 296.04917 156.5
[M]+ 275.07395 146.1
[M]- 275.07505 146.1
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

No patent data available for this compound.