CID 140759504

1350729-28-0

Structural Information

Molecular Formula
C4H7BF3
SMILES
[B-]([C@@H]1C[C@H]1C)(F)(F)F
InChI
InChI=1S/C4H7BF3/c1-3-2-4(3)5(6,7)8/h3-4H,2H2,1H3/q-1/t3-,4-/m1/s1
InChIKey
YTYFTDRARRFOIU-QWWZWVQMSA-N
Compound name
trifluoro-[(1R,2R)-2-methylcyclopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

123.05929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.066566 113.4
[M+Na]+ 146.048508 123.8
[M-H]- 122.052014 113.3
[M+NH4]+ 141.093113 130.7
[M+K]+ 162.022448 122.1
[M+H-H2O]+ 106.056550 108.4
[M+HCOO]- 168.057491 132.8
[M+CH3COO]- 182.073141 172.8
[M+Na-2H]- 144.033956 119.4
[M]+ 123.05874142 109.6
[M]- 123.05983858 109.6
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