CID 34191

28249-66-3

Structural Information

Molecular Formula
C12H10BNO
SMILES
B1(NC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C12H10BNO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9,14H
InChIKey
PBFCREGKEBBKAV-UHFFFAOYSA-N
Compound name
2-phenyl-3H-1,3,2-benzoxazaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09282 138.4
[M+Na]+ 218.07476 146.7
[M-H]- 194.07826 144.1
[M+NH4]+ 213.11936 157.1
[M+K]+ 234.04870 143.2
[M+H-H2O]+ 178.08280 131.5
[M+HCOO]- 240.08374 159.0
[M+CH3COO]- 254.09939 151.7
[M+Na-2H]- 216.06021 146.2
[M]+ 195.08499 136.4
[M]- 195.08609 136.4
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

No patent data available for this compound.