CID 512957

2,2,3-trimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1CC2=C(C3=CC=CC=C3C(=O)C2=O)OC1(C)C
InChI
InChI=1S/C16H16O3/c1-9-8-12-14(18)13(17)10-6-4-5-7-11(10)15(12)19-16(9,2)3/h4-7,9H,8H2,1-3H3
InChIKey
LVXNKYZZGIEHFQ-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 154.3
[M+Na]+ 279.09917 164.6
[M-H]- 255.10267 161.0
[M+NH4]+ 274.14377 174.8
[M+K]+ 295.07311 162.0
[M+H-H2O]+ 239.10721 148.1
[M+HCOO]- 301.10815 171.8
[M+CH3COO]- 315.12380 198.7
[M+Na-2H]- 277.08462 160.8
[M]+ 256.10940 155.7
[M]- 256.11050 155.7
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.