CID 131748969

1698912-03-6

Structural Information

Molecular Formula
C4H4BF3N
SMILES
[B-]([C@@H]1C[C@H]1C#N)(F)(F)F
InChI
InChI=1S/C4H4BF3N/c6-5(7,8)4-1-3(4)2-9/h3-4H,1H2/q-1/t3-,4+/m0/s1
InChIKey
ZHEYRLBDYJGTRT-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-cyanocyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

134.0389 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04618 112.8
[M+Na]+ 157.02812 128.4
[M-H]- 133.03162 114.6
[M+NH4]+ 152.07272 129.5
[M+K]+ 173.00206 123.9
[M+H-H2O]+ 117.03616 104.1
[M+HCOO]- 179.03710 131.1
[M+CH3COO]- 193.05275 186.7
[M+Na-2H]- 155.01357 120.3
[M]+ 134.03835 106.4
[M]- 134.03945 106.4
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

No patent data available for this compound.