CID 44470412

1190095-06-7

Structural Information

Molecular Formula
C11H14BF3NO
SMILES
[B-](C1=CC=C(C=C1)CN2CCOCC2)(F)(F)F
InChI
InChI=1S/C11H14BF3NO/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2/q-1
InChIKey
TVECCYPUDGMLCZ-UHFFFAOYSA-N
Compound name
trifluoro-[4-(morpholin-4-ylmethyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.11206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11934 148.4
[M+Na]+ 267.10128 153.8
[M-H]- 243.10478 147.8
[M+NH4]+ 262.14588 162.1
[M+K]+ 283.07522 151.5
[M+H-H2O]+ 227.10932 140.4
[M+HCOO]- 289.11026 161.8
[M+CH3COO]- 303.12591 187.9
[M+Na-2H]- 265.08673 152.9
[M]+ 244.11151 139.0
[M]- 244.11261 139.0
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.