CID 213550

Brn 0919270

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1C2C(C3=CC=CC=C31)ON=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H12ClNO/c17-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)19-18-15/h1-8,14,16H,9H2
InChIKey
NWBORYWRJABNHX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06073 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 160.7
[M+Na]+ 292.04995 171.8
[M-H]- 268.05345 169.0
[M+NH4]+ 287.09455 181.1
[M+K]+ 308.02389 166.3
[M+H-H2O]+ 252.05799 154.3
[M+HCOO]- 314.05893 177.4
[M+CH3COO]- 328.07458 174.0
[M+Na-2H]- 290.03540 164.2
[M]+ 269.06018 164.0
[M]- 269.06128 164.0
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.