CID 11052877

(4r)-4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CC1(OC[C@H](O1)CCBr)C
InChI
InChI=1S/C7H13BrO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
SCINDQADIBQHKD-ZCFIWIBFSA-N
Compound name
(4R)-4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

208.00989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 138.7
[M+Na]+ 230.99911 150.0
[M-H]- 207.00261 146.1
[M+NH4]+ 226.04371 162.5
[M+K]+ 246.97305 142.9
[M+H-H2O]+ 191.00715 140.8
[M+HCOO]- 253.00809 157.9
[M+CH3COO]- 267.02374 181.6
[M+Na-2H]- 228.98456 147.1
[M]+ 208.00934 159.0
[M]- 208.01044 159.0
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