CID 495026

Nsc641294

Structural Information

Molecular Formula
C15H15BNO2S
SMILES
[B-]1(NC(C(=O)O1)CS)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H15BNO2S/c18-15-14(11-20)17-16(19-15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,17,20H,11H2/q-1
InChIKey
CORFYACVEUJFOX-UHFFFAOYSA-N
Compound name
2,2-diphenyl-4-(sulfanylmethyl)-1-oxa-3-aza-2-boranuidacyclopentan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09164 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09892 159.6
[M+Na]+ 307.08086 167.1
[M-H]- 283.08436 166.0
[M+NH4]+ 302.12546 175.5
[M+K]+ 323.05480 162.8
[M+H-H2O]+ 267.08890 154.8
[M+HCOO]- 329.08984 174.4
[M+CH3COO]- 343.10549 189.9
[M+Na-2H]- 305.06631 161.2
[M]+ 284.09109 156.9
[M]- 284.09219 156.9
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.