CID 213913

Brn 0923919

Structural Information

Molecular Formula
C16H11Cl2NO
SMILES
C1C2C(C3=CC=CC=C31)ON=C2C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C16H11Cl2NO/c17-10-5-6-12(14(18)8-10)15-13-7-9-3-1-2-4-11(9)16(13)20-19-15/h1-6,8,13,16H,7H2
InChIKey
WQEIXXUAYRBKDU-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-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

303.02176 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02904 169.8
[M+Na]+ 326.01098 182.1
[M-H]- 302.01448 177.5
[M+NH4]+ 321.05558 189.4
[M+K]+ 341.98492 175.5
[M+H-H2O]+ 286.01902 163.7
[M+HCOO]- 348.01996 181.1
[M+CH3COO]- 362.03561 182.4
[M+Na-2H]- 323.99643 171.6
[M]+ 303.02121 174.6
[M]- 303.02231 174.6
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

patents stripe