CID 137935930

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

Structural Information

Molecular Formula
C5H5BrClNO
SMILES
CC1=C(C(=NO1)Br)CCl
InChI
InChI=1S/C5H5BrClNO/c1-3-4(2-7)5(6)8-9-3/h2H2,1H3
InChIKey
DCVHDBWVRIVROV-UHFFFAOYSA-N
Compound name
3-bromo-4-(chloromethyl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.9243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.93158 132.1
[M+Na]+ 231.91352 147.3
[M-H]- 207.91702 138.4
[M+NH4]+ 226.95812 155.3
[M+K]+ 247.88746 136.7
[M+H-H2O]+ 191.92156 133.3
[M+HCOO]- 253.92250 149.8
[M+CH3COO]- 267.93815 180.8
[M+Na-2H]- 229.89897 140.2
[M]+ 208.92375 154.5
[M]- 208.92485 154.5
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.