CID 72698549

Trichloro(n,n-dimethyloctylamine)boron

Structural Information

Molecular Formula
C10H23BCl3N
SMILES
[B-]([N+](C)(C)CCCCCCCC)(Cl)(Cl)Cl
InChI
InChI=1S/C10H23BCl3N/c1-4-5-6-7-8-9-10-15(2,3)11(12,13)14/h4-10H2,1-3H3
InChIKey
FXWXWPYCGVUYAA-UHFFFAOYSA-N
Compound name
trichloro-[dimethyl(octyl)azaniumyl]boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

273.0989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10618 166.8
[M+Na]+ 296.08812 172.2
[M-H]- 272.09162 164.1
[M+NH4]+ 291.13272 184.0
[M+K]+ 312.06206 162.3
[M+H-H2O]+ 256.09616 169.0
[M+HCOO]- 318.09710 172.0
[M+CH3COO]- 332.11275 194.8
[M+Na-2H]- 294.07357 171.3
[M]+ 273.09835 168.0
[M]- 273.09945 168.0
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