CID 213912

27271-35-8

Structural Information

Molecular Formula
C16H13NO
SMILES
C1C2C(C3=CC=CC=C31)ON=C2C4=CC=CC=C4
InChI
InChI=1S/C16H13NO/c1-2-6-11(7-3-1)15-14-10-12-8-4-5-9-13(12)16(14)18-17-15/h1-9,14,16H,10H2
InChIKey
HAKVIJGZWVSZOJ-UHFFFAOYSA-N
Compound name
3-phenyl-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

235.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 150.6
[M+Na]+ 258.08894 160.1
[M-H]- 234.09244 159.0
[M+NH4]+ 253.13354 171.4
[M+K]+ 274.06288 156.3
[M+H-H2O]+ 218.09698 144.0
[M+HCOO]- 280.09792 172.2
[M+CH3COO]- 294.11357 164.3
[M+Na-2H]- 256.07439 155.8
[M]+ 235.09917 151.5
[M]- 235.10027 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe