CID 12158073

162705-57-9

Structural Information

Molecular Formula
C15H12ClNO
SMILES
CC1=C(N=C(O1)C2=CC3=CC=CC=C3C=C2)CCl
InChI
InChI=1S/C15H12ClNO/c1-10-14(9-16)17-15(18-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3
InChIKey
HMNCLDWXFRTEQR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-methyl-2-naphthalen-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

257.06073 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06801 154.4
[M+Na]+ 280.04995 172.9
[M+NH4]+ 275.09455 164.8
[M+K]+ 296.02389 165.1
[M-H]- 256.05345 161.2
[M+Na-2H]- 278.03540 164.3
[M]+ 257.06018 159.7
[M]- 257.06128 159.7
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