CID 77231484

1133057-98-3

Structural Information

Molecular Formula
C22H16BNO2
SMILES
B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)(O)O
InChI
InChI=1S/C22H16BNO2/c25-23(26)17-10-12-22-20(14-17)19-7-3-4-8-21(19)24(22)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,25-26H
InChIKey
NJKCFLBYPCPLOS-UHFFFAOYSA-N
Compound name
(9-naphthalen-2-ylcarbazol-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

337.1274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13468 177.2
[M+Na]+ 360.11662 187.8
[M-H]- 336.12012 184.0
[M+NH4]+ 355.16122 192.8
[M+K]+ 376.09056 180.0
[M+H-H2O]+ 320.12466 168.7
[M+HCOO]- 382.12560 196.1
[M+CH3COO]- 396.14125 188.4
[M+Na-2H]- 358.10207 183.6
[M]+ 337.12685 179.6
[M]- 337.12795 179.6
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

patents stripe