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]+ 229.067076 144.9
[M+Na]+ 251.049018 152.1
[M-H]- 227.052524 145.9
[M+NH4]+ 246.093623 161.9
[M+K]+ 267.022958 150.5
[M+H-H2O]+ 211.057060 137.4
[M+HCOO]- 273.058001 160.1
[M+CH3COO]- 287.073651 187.8
[M+Na-2H]- 249.034466 148.7
[M]+ 228.05925142 141.1
[M]- 228.06034858 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.