CID 71306499

1359865-98-7

Structural Information

Molecular Formula
C12H14BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)N2CCCCC2)(F)(F)F
InChI
InChI=1S/C12H14BF3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7H,1-3,8-9H2/q-1
InChIKey
NGFUMVZVRLNUQV-UHFFFAOYSA-N
Compound name
trifluoro-[4-(piperidine-1-carbonyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11934 156.8
[M+Na]+ 279.10128 165.0
[M+NH4]+ 274.14588 161.8
[M+K]+ 295.07522 160.5
[M-H]- 255.10478 154.5
[M+Na-2H]- 277.08673 160.5
[M]+ 256.11151 156.6
[M]- 256.11261 156.6
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.