CID 705658

2-chloro-3-[(3-methyl-2-butenyl)oxy]-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C18H19ClO3
SMILES
CC(=CCOC1=C(C=C2C3=C(CCCC3)C(=O)OC2=C1)Cl)C
InChI
InChI=1S/C18H19ClO3/c1-11(2)7-8-21-17-10-16-14(9-15(17)19)12-5-3-4-6-13(12)18(20)22-16/h7,9-10H,3-6,8H2,1-2H3
InChIKey
UXKQESFXXWWMDU-UHFFFAOYSA-N
Compound name
2-chloro-3-(3-methylbut-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

318.10226 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.109536 171.2
[M+Na]+ 341.091478 180.2
[M-H]- 317.094984 176.9
[M+NH4]+ 336.136083 187.7
[M+K]+ 357.065418 175.5
[M+H-H2O]+ 301.099520 164.9
[M+HCOO]- 363.100461 183.9
[M+CH3COO]- 377.116111 207.5
[M+Na-2H]- 339.076926 175.2
[M]+ 318.10171142 175.5
[M]- 318.10280858 175.5
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