CID 370765

Nsc644288

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1(COC(=N1)C2=CC=CC3=C2C(=O)C4=C3C(=CC=C4)Cl)C
InChI
InChI=1S/C18H14ClNO2/c1-18(2)9-22-17(20-18)12-7-3-5-10-14-11(16(21)15(10)12)6-4-8-13(14)19/h3-8H,9H2,1-2H3
InChIKey
WGIRZDQENSXJQF-UHFFFAOYSA-N
Compound name
5-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 171.7
[M+Na]+ 334.06054 184.9
[M-H]- 310.06404 181.0
[M+NH4]+ 329.10514 193.0
[M+K]+ 350.03448 179.1
[M+H-H2O]+ 294.06858 165.8
[M+HCOO]- 356.06952 188.1
[M+CH3COO]- 370.08517 185.2
[M+Na-2H]- 332.04599 174.2
[M]+ 311.07077 177.6
[M]- 311.07187 177.6
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.