CID 75176013

Potassium trifluoro({4-[(prop-2-yn-1-yl)carbamoyl]phenyl})boranuide

Structural Information

Molecular Formula
C10H8BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)NCC#C)(F)(F)F
InChI
InChI=1S/C10H8BF3NO/c1-2-7-15-10(16)8-3-5-9(6-4-8)11(12,13)14/h1,3-6H,7H2,(H,15,16)/q-1
InChIKey
BFVDJLSSXNHJRC-UHFFFAOYSA-N
Compound name
trifluoro-[4-(prop-2-ynylcarbamoyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06511 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07239 145.2
[M+Na]+ 249.05433 154.2
[M-H]- 225.05783 142.0
[M+NH4]+ 244.09893 160.2
[M+K]+ 265.02827 149.9
[M+H-H2O]+ 209.06237 133.3
[M+HCOO]- 271.06331 158.9
[M+CH3COO]- 285.07896 195.3
[M+Na-2H]- 247.03978 147.7
[M]+ 226.06456 133.4
[M]- 226.06566 133.4
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.