CID 71306501

Potassium [4-(furfurylamino-1-carbonyl)phenyl]trifluoroborate

Structural Information

Molecular Formula
C12H10BF3NO2
SMILES
[B-](C1=CC=C(C=C1)C(=O)NCC2=CC=CO2)(F)(F)F
InChI
InChI=1S/C12H10BF3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h1-7H,8H2,(H,17,18)/q-1
InChIKey
YSGFEUYOBUDGIK-UHFFFAOYSA-N
Compound name
trifluoro-[4-(furan-2-ylmethylcarbamoyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08293 151.0
[M+Na]+ 291.06487 158.0
[M-H]- 267.06837 153.0
[M+NH4]+ 286.10947 166.7
[M+K]+ 307.03881 155.5
[M+H-H2O]+ 251.07291 144.3
[M+HCOO]- 313.07385 170.9
[M+CH3COO]- 327.08950 193.2
[M+Na-2H]- 289.05032 155.1
[M]+ 268.07510 145.8
[M]- 268.07620 145.8
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.