CID 91882659

(3-ethyl-4-(trifluoromethyl)phenyl)boronic acid

Structural Information

Molecular Formula
C9H10BF3O2
SMILES
B(C1=CC(=C(C=C1)C(F)(F)F)CC)(O)O
InChI
InChI=1S/C9H10BF3O2/c1-2-6-5-7(10(14)15)3-4-8(6)9(11,12)13/h3-5,14-15H,2H2,1H3
InChIKey
AXRWOLULSNYZIE-UHFFFAOYSA-N
Compound name
[3-ethyl-4-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07988 141.6
[M+Na]+ 241.06182 150.0
[M-H]- 217.06532 139.1
[M+NH4]+ 236.10642 159.1
[M+K]+ 257.03576 146.8
[M+H-H2O]+ 201.06986 134.3
[M+HCOO]- 263.07080 157.6
[M+CH3COO]- 277.08645 183.7
[M+Na-2H]- 239.04727 144.8
[M]+ 218.07205 136.9
[M]- 218.07315 136.9
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.