CID 132371454

Potassium trifluoro(2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl)boranuide

Structural Information

Molecular Formula
C8H7BF3N2O
SMILES
[B-](C1=CC2=C(CNC(=O)N2)C=C1)(F)(F)F
InChI
InChI=1S/C8H7BF3N2O/c10-9(11,12)6-2-1-5-4-13-8(15)14-7(5)3-6/h1-3H,4H2,(H2,13,14,15)/q-1
InChIKey
AOSIWYHVDFLERZ-UHFFFAOYSA-N
Compound name
trifluoro-(2-oxo-3,4-dihydro-1H-quinazolin-7-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06035 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06763 138.9
[M+Na]+ 238.04957 147.0
[M-H]- 214.05307 132.3
[M+NH4]+ 233.09417 153.8
[M+K]+ 254.02351 141.5
[M+H-H2O]+ 198.05761 132.3
[M+HCOO]- 260.05855 149.8
[M+CH3COO]- 274.07420 177.9
[M+Na-2H]- 236.03502 144.4
[M]+ 215.05980 127.1
[M]- 215.06090 127.1
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.