CID 132343723

2137958-08-6

Structural Information

Molecular Formula
C11H10F2O3
SMILES
C1C(C(OC2=CC=CC=C21)C(F)F)C(=O)O
InChI
InChI=1S/C11H10F2O3/c12-10(13)9-7(11(14)15)5-6-3-1-2-4-8(6)16-9/h1-4,7,9-10H,5H2,(H,14,15)
InChIKey
QYIUGQOEDXBLHI-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06708 144.9
[M+Na]+ 251.04902 152.1
[M-H]- 227.05252 145.9
[M+NH4]+ 246.09362 161.9
[M+K]+ 267.02296 150.5
[M+H-H2O]+ 211.05706 137.4
[M+HCOO]- 273.05800 160.1
[M+CH3COO]- 287.07365 187.8
[M+Na-2H]- 249.03447 148.7
[M]+ 228.05925 141.1
[M]- 228.06035 141.1
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.