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]+ 170.07205 129.6
[M+Na]+ 192.05399 136.7
[M-H]- 168.05749 122.9
[M+NH4]+ 187.09859 148.7
[M+K]+ 208.02793 135.5
[M+H-H2O]+ 152.06203 125.5
[M+HCOO]- 214.06297 146.4
[M+CH3COO]- 228.07862 173.3
[M+Na-2H]- 190.03944 133.1
[M]+ 169.06422 123.9
[M]- 169.06532 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