CID 50987919

Dibutyl (2-(trifluoromethyl)cyclopropyl)boronate

Structural Information

Molecular Formula
C12H22BF3O2
SMILES
B(C1CC1C(F)(F)F)(OCCCC)OCCCC
InChI
InChI=1S/C12H22BF3O2/c1-3-5-7-17-13(18-8-6-4-2)11-9-10(11)12(14,15)16/h10-11H,3-9H2,1-2H3
InChIKey
DAYNCGMXRPDCQV-UHFFFAOYSA-N
Compound name
dibutoxy-[2-(trifluoromethyl)cyclopropyl]borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

266.1665 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17378 155.3
[M+Na]+ 289.15572 162.7
[M-H]- 265.15922 155.4
[M+NH4]+ 284.20032 167.6
[M+K]+ 305.12966 159.8
[M+H-H2O]+ 249.16376 146.4
[M+HCOO]- 311.16470 172.3
[M+CH3COO]- 325.18035 202.3
[M+Na-2H]- 287.14117 157.0
[M]+ 266.16595 158.8
[M]- 266.16705 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe