CID 12158073

4-(chloromethyl)-5-methyl-2-(naphthalen-2-yl)-1,3-oxazole

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

33
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 155.9
[M+Na]+ 280.04995 168.3
[M-H]- 256.05345 163.7
[M+NH4]+ 275.09455 174.4
[M+K]+ 296.02389 163.0
[M+H-H2O]+ 240.05799 148.9
[M+HCOO]- 302.05893 175.2
[M+CH3COO]- 316.07458 170.0
[M+Na-2H]- 278.03540 162.5
[M]+ 257.06018 162.1
[M]- 257.06128 162.1
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