CID 96122

2479-64-3

Structural Information

Molecular Formula
C12H11BN2
SMILES
B1(NC2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C12H11BN2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9,14-15H
InChIKey
BPFCMNQMCJTFBC-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dihydro-1,3,2-benzodiazaborole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

194.10153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10881 140.3
[M+Na]+ 217.09075 148.1
[M-H]- 193.09425 142.5
[M+NH4]+ 212.13535 158.3
[M+K]+ 233.06469 141.9
[M+H-H2O]+ 177.09879 132.6
[M+HCOO]- 239.09973 158.8
[M+CH3COO]- 253.11538 152.1
[M+Na-2H]- 215.07620 146.9
[M]+ 194.10098 135.0
[M]- 194.10208 135.0
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

patents stripe