CID 72698887

1956332-20-9

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C1C(COC2=C1C=CC(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)8-2-1-6-3-7(10(15)16)5-17-9(6)4-8/h1-2,4,7H,3,5H2,(H,15,16)
InChIKey
QMKNOUDMVJFHJX-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 155.1
[M+Na]+ 269.03960 163.6
[M+NH4]+ 264.08420 160.3
[M+K]+ 285.01354 159.5
[M-H]- 245.04310 152.6
[M+Na-2H]- 267.02505 156.8
[M]+ 246.04983 155.3
[M]- 246.05093 155.3
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.