CID 11845940

905710-58-9

Structural Information

Molecular Formula
C13H10BFO
SMILES
B1(C2=CC=CC=C2CO1)C3=CC(=CC=C3)F
InChI
InChI=1S/C13H10BFO/c15-12-6-3-5-11(8-12)14-13-7-2-1-4-10(13)9-16-14/h1-8H,9H2
InChIKey
OLZHSVNIEAYSLM-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

212.08087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08815 141.5
[M+Na]+ 235.07009 150.8
[M-H]- 211.07359 148.8
[M+NH4]+ 230.11469 161.9
[M+K]+ 251.04403 147.6
[M+H-H2O]+ 195.07813 134.5
[M+HCOO]- 257.07907 163.5
[M+CH3COO]- 271.09472 155.5
[M+Na-2H]- 233.05554 147.9
[M]+ 212.08032 140.5
[M]- 212.08142 140.5
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