CID 11819432

57641-66-4

Structural Information

Molecular Formula
C4H9BrO2
SMILES
C(COCCBr)O
InChI
InChI=1S/C4H9BrO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKey
JTOJLOUPDKBCCH-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

167.97859 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98587 127.0
[M+Na]+ 190.96781 137.9
[M-H]- 166.97131 128.8
[M+NH4]+ 186.01241 150.3
[M+K]+ 206.94175 128.3
[M+H-H2O]+ 150.97585 128.0
[M+HCOO]- 212.97679 147.8
[M+CH3COO]- 226.99244 173.7
[M+Na-2H]- 188.95326 135.5
[M]+ 167.97804 146.7
[M]- 167.97914 146.7
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