CID 22490042

355836-10-1

Structural Information

Molecular Formula
C8H8BF3O4
SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)OC)(O)O
InChI
InChI=1S/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChIKey
AJCQJELUJDPGEY-UHFFFAOYSA-N
Compound name
[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

236.04677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05405 142.8
[M+Na]+ 259.03599 151.3
[M-H]- 235.03949 140.4
[M+NH4]+ 254.08059 159.4
[M+K]+ 275.00993 149.6
[M+H-H2O]+ 219.04403 135.1
[M+HCOO]- 281.04497 159.5
[M+CH3COO]- 295.06062 184.9
[M+Na-2H]- 257.02144 146.6
[M]+ 236.04622 140.6
[M]- 236.04732 140.6
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