CID 75485790

2095165-22-1

Structural Information

Molecular Formula
C9H13BFNO2
SMILES
B(C1=CC(=C(C=C1)F)CN(C)C)(O)O
InChI
InChI=1S/C9H13BFNO2/c1-12(2)6-7-5-8(10(13)14)3-4-9(7)11/h3-5,13-14H,6H2,1-2H3
InChIKey
DOELLJCGVGGUBJ-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-4-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.10234 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10962 140.3
[M+Na]+ 220.09156 147.4
[M-H]- 196.09506 141.7
[M+NH4]+ 215.13616 159.0
[M+K]+ 236.06550 146.0
[M+H-H2O]+ 180.09960 133.7
[M+HCOO]- 242.10054 161.5
[M+CH3COO]- 256.11619 186.8
[M+Na-2H]- 218.07701 143.4
[M]+ 197.10179 139.1
[M]- 197.10289 139.1
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