CID 155822014

4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile

Structural Information

Molecular Formula
C10H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(CCC#N)Cl
InChI
InChI=1S/C10H17BClNO2/c1-9(2)10(3,4)15-11(14-9)8(12)6-5-7-13/h8H,5-6H2,1-4H3
InChIKey
IILSKAVBMPAGON-UHFFFAOYSA-N
Compound name
4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10408 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11136 141.0
[M+Na]+ 252.09330 152.6
[M-H]- 228.09680 145.7
[M+NH4]+ 247.13790 161.5
[M+K]+ 268.06724 149.8
[M+H-H2O]+ 212.10134 132.1
[M+HCOO]- 274.10228 153.6
[M+CH3COO]- 288.11793 200.5
[M+Na-2H]- 250.07875 146.4
[M]+ 229.10353 140.9
[M]- 229.10463 140.9
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.