CID 13228133

5-(bromomethyl)-4-chloro-3-methyl-1,2-oxazole

Structural Information

Molecular Formula
C5H5BrClNO
SMILES
CC1=NOC(=C1Cl)CBr
InChI
InChI=1S/C5H5BrClNO/c1-3-5(7)4(2-6)9-8-3/h2H2,1H3
InChIKey
QJSFKHBXZKMSGW-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-4-chloro-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.9243 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe