CID 11846116

5-(trifluoromethyl)benzo[c][1,2]oxaborol-1(3h)-ol

Structural Information

Molecular Formula
C8H6BF3O2
SMILES
B1(C2=C(CO1)C=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C8H6BF3O2/c10-8(11,12)6-1-2-7-5(3-6)4-14-9(7)13/h1-3,13H,4H2
InChIKey
BHYLHIVBNMYEPX-UHFFFAOYSA-N
Compound name
1-hydroxy-5-(trifluoromethyl)-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

126
Patents

202.04129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04857 134.4
[M+Na]+ 225.03051 144.5
[M-H]- 201.03401 135.0
[M+NH4]+ 220.07511 154.9
[M+K]+ 241.00445 142.4
[M+H-H2O]+ 185.03855 127.9
[M+HCOO]- 247.03949 151.6
[M+CH3COO]- 261.05514 180.1
[M+Na-2H]- 223.01596 140.8
[M]+ 202.04074 130.9
[M]- 202.04184 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe