CID 118099283

1567814-82-7

Structural Information

Molecular Formula
C21H15ClO
SMILES
CC1(C2=C(C=C(C=C2)Cl)C3=C1C=CC4=C3OC5=CC=CC=C45)C
InChI
InChI=1S/C21H15ClO/c1-21(2)16-9-7-12(22)11-15(16)19-17(21)10-8-14-13-5-3-4-6-18(13)23-20(14)19/h3-11H,1-2H3
InChIKey
DKNYTXIXMCTZQC-UHFFFAOYSA-N
Compound name
10-chloro-7,7-dimethylfluoreno[4,3-b][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

318.08115 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08843 175.9
[M+Na]+ 341.07037 191.0
[M-H]- 317.07387 185.6
[M+NH4]+ 336.11497 200.4
[M+K]+ 357.04431 183.3
[M+H-H2O]+ 301.07841 170.3
[M+HCOO]- 363.07935 193.0
[M+CH3COO]- 377.09500 189.9
[M+Na-2H]- 339.05582 181.0
[M]+ 318.08060 184.2
[M]- 318.08170 184.2
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