CID 10633828

2-(3-bromopropyl)-1,3,2-benzodioxaborole

Structural Information

Molecular Formula
C9H10BBrO2
SMILES
B1(OC2=CC=CC=C2O1)CCCBr
InChI
InChI=1S/C9H10BBrO2/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2
InChIKey
CKEYUZCDEUQVBU-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)-1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.99573 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00301 146.7
[M+Na]+ 262.98495 158.2
[M-H]- 238.98845 154.8
[M+NH4]+ 258.02955 168.3
[M+K]+ 278.95889 150.1
[M+H-H2O]+ 222.99299 147.7
[M+HCOO]- 284.99393 166.4
[M+CH3COO]- 299.00958 186.9
[M+Na-2H]- 260.97040 155.6
[M]+ 239.99518 167.8
[M]- 239.99628 167.8
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