CID 53487096

1015082-77-5

Structural Information

Molecular Formula
C7H7BF3O
SMILES
[B-](C1=CC(=CC=C1)CO)(F)(F)F
InChI
InChI=1S/C7H7BF3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2/q-1
InChIKey
WGBYESVLBOUINQ-UHFFFAOYSA-N
Compound name
trifluoro-[3-(hydroxymethyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06148 134.5
[M+Na]+ 198.04342 143.7
[M+NH4]+ 193.08802 140.2
[M+K]+ 214.01736 139.5
[M-H]- 174.04692 131.1
[M+Na-2H]- 196.02887 138.4
[M]+ 175.05365 134.3
[M]- 175.05475 134.3
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.