CID 99768871

1370291-68-1

Structural Information

Molecular Formula
C5H9BF3O2
SMILES
[B-](C(=O)CCCCO)(F)(F)F
InChI
InChI=1S/C5H9BF3O2/c7-6(8,9)5(11)3-1-2-4-10/h10H,1-4H2/q-1
InChIKey
GVCKBUQZTJLOII-UHFFFAOYSA-N
Compound name
trifluoro(5-hydroxypentanoyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

169.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.072046 129.6
[M+Na]+ 192.053988 136.7
[M-H]- 168.057494 122.9
[M+NH4]+ 187.098593 148.7
[M+K]+ 208.027928 135.5
[M+H-H2O]+ 152.062030 125.5
[M+HCOO]- 214.062971 146.4
[M+CH3COO]- 228.078621 173.3
[M+Na-2H]- 190.039436 133.1
[M]+ 169.06422142 123.9
[M]- 169.06531858 123.9
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

patents stripe