CID 388099

Nsc682562

Structural Information

Molecular Formula
C19H17ClO5
SMILES
COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2=O)OC)OC)Cl)OC
InChI
InChI=1S/C19H17ClO5/c1-22-13-6-5-10(7-14(13)23-2)17-18(20)11-8-15(24-3)16(25-4)9-12(11)19(17)21/h5-9H,1-4H3
InChIKey
SPXFXYOHHGCBHY-UHFFFAOYSA-N
Compound name
3-chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxyinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.07645 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08373 180.1
[M+Na]+ 383.06567 192.5
[M-H]- 359.06917 189.3
[M+NH4]+ 378.11027 197.6
[M+K]+ 399.03961 188.2
[M+H-H2O]+ 343.07371 173.9
[M+HCOO]- 405.07465 199.8
[M+CH3COO]- 419.09030 216.0
[M+Na-2H]- 381.05112 180.9
[M]+ 360.07590 191.9
[M]- 360.07700 191.9
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.