CID 71507311

1408168-73-9

Structural Information

Molecular Formula
C9H11BF3O
SMILES
[B-](CCOCC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C9H11BF3O/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2/q-1
InChIKey
VOEPCWYWGKDCBA-UHFFFAOYSA-N
Compound name
trifluoro(2-phenylmethoxyethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.08551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09279 137.1
[M+Na]+ 226.07473 144.3
[M-H]- 202.07823 134.8
[M+NH4]+ 221.11933 155.5
[M+K]+ 242.04867 141.8
[M+H-H2O]+ 186.08277 131.3
[M+HCOO]- 248.08371 156.3
[M+CH3COO]- 262.09936 181.7
[M+Na-2H]- 224.06018 142.9
[M]+ 203.08496 132.4
[M]- 203.08606 132.4
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.