CID 13582705

870777-31-4

Structural Information

Molecular Formula
C9H16BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CBr
InChI
InChI=1S/C9H16BBrO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H,7H2,1-4H3/b6-5+
InChIKey
VMMCNBSXAISQSS-AATRIKPKSA-N
Compound name
2-[(E)-3-bromoprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.04266 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04994 143.6
[M+Na]+ 269.03188 155.9
[M-H]- 245.03538 151.3
[M+NH4]+ 264.07648 168.2
[M+K]+ 285.00582 147.8
[M+H-H2O]+ 229.03992 146.7
[M+HCOO]- 291.04086 162.3
[M+CH3COO]- 305.05651 188.9
[M+Na-2H]- 267.01733 151.7
[M]+ 246.04211 165.0
[M]- 246.04321 165.0
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

No patent data available for this compound.