CID 47003329

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

Structural Information

Molecular Formula
C9H8ClNOS
SMILES
CC1=C(N=C(O1)C2=CSC=C2)CCl
InChI
InChI=1S/C9H8ClNOS/c1-6-8(4-10)11-9(12-6)7-2-3-13-5-7/h2-3,5H,4H2,1H3
InChIKey
NTZYYXVEAWDWCR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.00151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.008786 142.4
[M+Na]+ 235.990728 155.6
[M-H]- 211.994234 150.4
[M+NH4]+ 231.035333 164.4
[M+K]+ 251.964668 152.5
[M+H-H2O]+ 195.998770 137.7
[M+HCOO]- 257.999711 159.9
[M+CH3COO]- 272.015361 158.0
[M+Na-2H]- 233.976176 144.2
[M]+ 213.00096142 150.3
[M]- 213.00205858 150.3
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