CID 154577063

3-(chloromethyl)-3ah,4h,5h,6ah-furo[3,2-d][1,2]oxazole

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
C1COC2C1C(=NO2)CCl
InChI
InChI=1S/C6H8ClNO2/c7-3-5-4-1-2-9-6(4)10-8-5/h4,6H,1-3H2
InChIKey
BOUYGVALPQDYMN-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02435 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03163 130.7
[M+Na]+ 184.01357 140.2
[M-H]- 160.01707 134.8
[M+NH4]+ 179.05817 152.9
[M+K]+ 199.98751 140.0
[M+H-H2O]+ 144.02161 126.5
[M+HCOO]- 206.02255 147.1
[M+CH3COO]- 220.03820 145.2
[M+Na-2H]- 181.99902 136.6
[M]+ 161.02380 133.5
[M]- 161.02490 133.5
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

No patent data available for this compound.