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]+ 214.00879 142.4
[M+Na]+ 235.99073 155.6
[M-H]- 211.99423 150.4
[M+NH4]+ 231.03533 164.4
[M+K]+ 251.96467 152.5
[M+H-H2O]+ 195.99877 137.7
[M+HCOO]- 257.99971 159.9
[M+CH3COO]- 272.01536 158.0
[M+Na-2H]- 233.97618 144.2
[M]+ 213.00096 150.3
[M]- 213.00206 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