CID 203402

14320-98-0

Structural Information

Molecular Formula
C11H10BN3
SMILES
B1(NC2=C(N1)N=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C11H10BN3/c1-2-5-9(6-3-1)12-14-10-7-4-8-13-11(10)15-12/h1-8,14H,(H,13,15)
InChIKey
RDUGLRGZQPCDGW-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dihydro-[1,3,2]diazaborolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.09677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10405 140.6
[M+Na]+ 218.08599 148.8
[M-H]- 194.08949 141.5
[M+NH4]+ 213.13059 157.1
[M+K]+ 234.05993 142.7
[M+H-H2O]+ 178.09403 132.0
[M+HCOO]- 240.09497 158.0
[M+CH3COO]- 254.11062 152.0
[M+Na-2H]- 216.07144 147.6
[M]+ 195.09622 135.4
[M]- 195.09732 135.4
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.