CID 206211

43159-86-0

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
CN(C)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C16H14ClNO2/c1-18(2)9-12-13(17)8-7-11-15(19)10-5-3-4-6-14(10)20-16(11)12/h3-8H,9H2,1-2H3
InChIKey
ROJCUEHOOXMMFK-UHFFFAOYSA-N
Compound name
3-chloro-4-[(dimethylamino)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 160.7
[M+Na]+ 310.06054 179.0
[M+NH4]+ 305.10514 171.0
[M+K]+ 326.03448 169.8
[M-H]- 286.06404 167.5
[M+Na-2H]- 308.04599 169.2
[M]+ 287.07077 166.0
[M]- 287.07187 166.0
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.