CID 138987502

[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1C2(CC1(OC2)CO)C(F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)5-1-6(2-5,3-11)12-4-5/h11H,1-4H2
InChIKey
VJGWBYWPAPLXGL-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05547 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 141.6
[M+Na]+ 205.04469 149.5
[M-H]- 181.04819 139.1
[M+NH4]+ 200.08929 164.1
[M+K]+ 221.01863 150.4
[M+H-H2O]+ 165.05273 135.1
[M+HCOO]- 227.05367 154.1
[M+CH3COO]- 241.06932 181.0
[M+Na-2H]- 203.03014 151.1
[M]+ 182.05492 151.1
[M]- 182.05602 151.1
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.