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 162.0
[M+Na]+ 310.06054 174.2
[M-H]- 286.06404 170.4
[M+NH4]+ 305.10514 180.5
[M+K]+ 326.03448 170.3
[M+H-H2O]+ 270.06858 155.3
[M+HCOO]- 332.06952 181.8
[M+CH3COO]- 346.08517 176.0
[M+Na-2H]- 308.04599 170.6
[M]+ 287.07077 170.4
[M]- 287.07187 170.4
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.