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

10
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

literature stripe

Patent stripe

patents stripe