CID 73995282

1983205-51-1

Structural Information

Molecular Formula
C11H12BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)N2CCCC2)(F)(F)F
InChI
InChI=1S/C11H12BF3NO/c13-12(14,15)10-5-3-9(4-6-10)11(17)16-7-1-2-8-16/h3-6H,1-2,7-8H2/q-1
InChIKey
UPGWMNFRPNBTML-UHFFFAOYSA-N
Compound name
trifluoro-[4-(pyrrolidine-1-carbonyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10368 153.8
[M+Na]+ 265.08562 161.2
[M+NH4]+ 260.13022 158.7
[M+K]+ 281.05956 158.8
[M-H]- 241.08912 150.8
[M+Na-2H]- 263.07107 156.7
[M]+ 242.09585 153.2
[M]- 242.09695 153.2
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.