CID 45588175

1015484-22-6

Structural Information

Molecular Formula
C6H13BF3N2
SMILES
[B-](CN1CCN(CC1)C)(F)(F)F
InChI
InChI=1S/C6H13BF3N2/c1-11-2-4-12(5-3-11)6-7(8,9)10/h2-6H2,1H3/q-1
InChIKey
NWDSODBACSCRNQ-UHFFFAOYSA-N
Compound name
trifluoro-[(4-methylpiperazin-1-yl)methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

181.11238 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11966 135.9
[M+Na]+ 204.10160 142.1
[M-H]- 180.10510 130.4
[M+NH4]+ 199.14620 152.5
[M+K]+ 220.07554 140.4
[M+H-H2O]+ 164.10964 128.9
[M+HCOO]- 226.11058 148.7
[M+CH3COO]- 240.12623 178.1
[M+Na-2H]- 202.08705 139.5
[M]+ 181.11183 125.5
[M]- 181.11293 125.5
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