CID 131751188

Artocarbene

Structural Information

Molecular Formula
C19H18O4
SMILES
CC1(C=CC2=C(C=C(C=C2O1)/C=C\C3=C(C=C(C=C3)O)O)O)C
InChI
InChI=1S/C19H18O4/c1-19(2)8-7-15-17(22)9-12(10-18(15)23-19)3-4-13-5-6-14(20)11-16(13)21/h3-11,20-22H,1-2H3/b4-3-
InChIKey
VPKBRABQIHPIEA-ARJAWSKDSA-N
Compound name
4-[(Z)-2-(5-hydroxy-2,2-dimethylchromen-7-yl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

310.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 172.5
[M+Na]+ 333.10972 181.9
[M-H]- 309.11322 177.8
[M+NH4]+ 328.15432 187.5
[M+K]+ 349.08366 177.3
[M+H-H2O]+ 293.11776 165.6
[M+HCOO]- 355.11870 189.0
[M+CH3COO]- 369.13435 200.6
[M+Na-2H]- 331.09517 177.2
[M]+ 310.11995 173.3
[M]- 310.12105 173.3
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.