CID 22637012

4677-20-7

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1COCCC1CCBr
InChI
InChI=1S/C7H13BrO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
WPDAWFCZGSQOPZ-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 136.6
[M+Na]+ 215.00420 145.1
[M-H]- 191.00770 142.5
[M+NH4]+ 210.04880 158.2
[M+K]+ 230.97814 136.7
[M+H-H2O]+ 175.01224 137.2
[M+HCOO]- 237.01318 154.4
[M+CH3COO]- 251.02883 179.2
[M+Na-2H]- 212.98965 144.6
[M]+ 192.01443 152.2
[M]- 192.01553 152.2
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