CID 71306577

2-(4-((trimethylsilyl)ethynyl)phenyl)-2,3-dihydro-1h-naphtho[1,8-de][1,3,2]diazaborinine

Structural Information

Molecular Formula
C21H21BN2Si
SMILES
B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)C#C[Si](C)(C)C
InChI
InChI=1S/C21H21BN2Si/c1-25(2,3)15-14-16-10-12-18(13-11-16)22-23-19-8-4-6-17-7-5-9-20(24-22)21(17)19/h4-13,23-24H,1-3H3
InChIKey
MEPMEHWNLKPBPQ-UHFFFAOYSA-N
Compound name
2-[4-(2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yl)phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1567 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16398 190.2
[M+Na]+ 363.14592 199.2
[M-H]- 339.14942 188.9
[M+NH4]+ 358.19052 200.5
[M+K]+ 379.11986 186.5
[M+H-H2O]+ 323.15396 174.9
[M+HCOO]- 385.15490 195.8
[M+CH3COO]- 399.17055 195.9
[M+Na-2H]- 361.13137 193.3
[M]+ 340.15615 180.2
[M]- 340.15725 180.2
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.