CID 6328743

Nsc 99297

Structural Information

Molecular Formula
C9H5B10O2
SMILES
[B]1B2C13B4B3C5(B4B6B5B7B2B76)C8=CC=CC(=C8)C(=O)O
InChI
InChI=1S/C9H5B10O2/c20-7(21)5-2-1-3-6(4-5)8-11-9-10-12(9)16-18-14(8)17(19(16)18)13(8)15(9)11/h1-4H,(H,20,21)
InChIKey
CSAAMBBRYGXQJZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12201 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12929 172.5
[M+Na]+ 278.11123 175.8
[M-H]- 254.11473 178.1
[M+NH4]+ 273.15583 170.5
[M+K]+ 294.08517 174.6
[M+H-H2O]+ 238.11927 169.3
[M+HCOO]- 300.12021 173.4
[M+CH3COO]- 314.13586 174.7
[M+Na-2H]- 276.09668 172.3
[M]+ 255.12146 186.6
[M]- 255.12256 186.6
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

No patent data available for this compound.