CID 125456344

2059912-20-6

Structural Information

Molecular Formula
C11H10ClF3O
SMILES
C1[C@H]([C@@H](OC2=CC=CC=C21)C(F)(F)F)CCl
InChI
InChI=1S/C11H10ClF3O/c12-6-8-5-7-3-1-2-4-9(7)16-10(8)11(13,14)15/h1-4,8,10H,5-6H2/t8-,10+/m0/s1
InChIKey
VBCGMIXPTHXJNW-WCBMZHEXSA-N
Compound name
(2R,3R)-3-(chloromethyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03723 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04451 148.5
[M+Na]+ 273.02645 157.9
[M-H]- 249.02995 149.5
[M+NH4]+ 268.07105 166.7
[M+K]+ 289.00039 153.8
[M+H-H2O]+ 233.03449 141.1
[M+HCOO]- 295.03543 159.4
[M+CH3COO]- 309.05108 191.4
[M+Na-2H]- 271.01190 154.7
[M]+ 250.03668 146.0
[M]- 250.03778 146.0
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

No patent data available for this compound.