CID 2763301

352535-96-7

Structural Information

Molecular Formula
C7H5BF4O2
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey
KUHVVLFCTMTYGR-UHFFFAOYSA-N
Compound name
[2-fluoro-5-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

208.03188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.039156 134.9
[M+Na]+ 231.021098 144.2
[M-H]- 207.024604 131.3
[M+NH4]+ 226.065703 152.7
[M+K]+ 246.995038 141.0
[M+H-H2O]+ 191.029140 127.0
[M+HCOO]- 253.030081 150.4
[M+CH3COO]- 267.045731 180.5
[M+Na-2H]- 229.006546 138.5
[M]+ 208.03133142 128.2
[M]- 208.03242858 128.2
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

patents stripe