CID 57918568

[4-(heptafluoropropan-2-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C9H6BF7O2
SMILES
B(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F)(O)O
InChI
InChI=1S/C9H6BF7O2/c11-7(8(12,13)14,9(15,16)17)5-1-3-6(4-2-5)10(18)19/h1-4,18-19H
InChIKey
YOOCRETZGVJDBF-UHFFFAOYSA-N
Compound name
[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

290.0349 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04218 152.3
[M+Na]+ 313.02412 160.8
[M-H]- 289.02762 144.8
[M+NH4]+ 308.06872 166.3
[M+K]+ 328.99806 157.0
[M+H-H2O]+ 273.03216 142.1
[M+HCOO]- 335.03310 160.8
[M+CH3COO]- 349.04875 194.6
[M+Na-2H]- 311.00957 155.6
[M]+ 290.03435 140.7
[M]- 290.03545 140.7
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