CID 16218097

Borate(1-), trifluoro[4-(hydroxymethyl)phenyl]-, potassium (1:1), (t-4)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06148 127.1
[M+Na]+ 198.04342 135.6
[M-H]- 174.04692 124.2
[M+NH4]+ 193.08802 146.3
[M+K]+ 214.01736 132.8
[M+H-H2O]+ 158.05146 122.3
[M+HCOO]- 220.05240 145.5
[M+CH3COO]- 234.06805 173.8
[M+Na-2H]- 196.02887 132.9
[M]+ 175.05365 120.2
[M]- 175.05475 120.2
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.