CID 138991257

2249826-37-5

Structural Information

Molecular Formula
C4H7BF3
SMILES
[B-](C1(CC1)C)(F)(F)F
InChI
InChI=1S/C4H7BF3/c1-4(2-3-4)5(6,7)8/h2-3H2,1H3/q-1
InChIKey
VABDCUFHVKTXBA-UHFFFAOYSA-N
Compound name
trifluoro-(1-methylcyclopropyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

123.05929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.066566 114.6
[M+Na]+ 146.048508 124.7
[M-H]- 122.052014 114.5
[M+NH4]+ 141.093113 133.4
[M+K]+ 162.022448 124.1
[M+H-H2O]+ 106.056550 110.6
[M+HCOO]- 168.057491 133.7
[M+CH3COO]- 182.073141 171.4
[M+Na-2H]- 144.033956 122.2
[M]+ 123.05874142 110.8
[M]- 123.05983858 110.8
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