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

1
Patents

246.05038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.057656 147.8
[M+Na]+ 269.039598 155.8
[M-H]- 245.043104 147.7
[M+NH4]+ 264.084203 164.2
[M+K]+ 285.013538 153.8
[M+H-H2O]+ 229.047640 139.9
[M+HCOO]- 291.048581 161.3
[M+CH3COO]- 305.064231 189.4
[M+Na-2H]- 267.025046 153.1
[M]+ 246.04983142 142.9
[M]- 246.05092858 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

patents stripe