CID 5270595

Schembl7823020

Structural Information

Molecular Formula
C14H12FIO3
SMILES
CC1=C(C(=O)OC2=C1C=C3CC(OC3=C2C)CI)F
InChI
InChI=1S/C14H12FIO3/c1-6-10-4-8-3-9(5-16)18-12(8)7(2)13(10)19-14(17)11(6)15/h4,9H,3,5H2,1-2H3
InChIKey
HLZOGNOCCHPDAN-UHFFFAOYSA-N
Compound name
6-fluoro-2-(iodomethyl)-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.9815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.98878 159.3
[M+Na]+ 396.97072 164.7
[M-H]- 372.97422 158.8
[M+NH4]+ 392.01532 173.4
[M+K]+ 412.94466 168.4
[M+H-H2O]+ 356.97876 150.0
[M+HCOO]- 418.97970 173.9
[M+CH3COO]- 432.99535 207.5
[M+Na-2H]- 394.95617 152.5
[M]+ 373.98095 161.2
[M]- 373.98205 161.2
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