CID 495512

Nsc656973

Structural Information

Molecular Formula
C16H18BFNO
SMILES
[B-]1(N(C(C(O1)C2=CC=CC=C2)C)C)(C3=CC=CC=C3)F
InChI
InChI=1S/C16H18BFNO/c1-13-16(14-9-5-3-6-10-14)20-17(18,19(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/q-1
InChIKey
SFMIIWAJJYBOOX-UHFFFAOYSA-N
Compound name
2-fluoro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-boranuidacyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15383 157.2
[M+Na]+ 293.13577 165.0
[M-H]- 269.13927 163.6
[M+NH4]+ 288.18037 174.0
[M+K]+ 309.10971 161.5
[M+H-H2O]+ 253.14381 150.5
[M+HCOO]- 315.14475 176.3
[M+CH3COO]- 329.16040 194.3
[M+Na-2H]- 291.12122 159.8
[M]+ 270.14600 153.0
[M]- 270.14710 153.0
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.