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 147.8
[M+Na]+ 269.03960 155.8
[M-H]- 245.04310 147.7
[M+NH4]+ 264.08420 164.2
[M+K]+ 285.01354 153.8
[M+H-H2O]+ 229.04764 139.9
[M+HCOO]- 291.04858 161.3
[M+CH3COO]- 305.06423 189.4
[M+Na-2H]- 267.02505 153.1
[M]+ 246.04983 142.9
[M]- 246.05093 142.9
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.