CID 44755206

877160-63-9

Structural Information

Molecular Formula
C12H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
InChIKey
YKQXROMICPMQBZ-UHFFFAOYSA-N
Compound name
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

253.10408 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11136 151.6
[M+Na]+ 276.09330 164.6
[M+NH4]+ 271.13790 163.1
[M+K]+ 292.06724 157.0
[M-H]- 252.09680 158.2
[M+Na-2H]- 274.07875 159.8
[M]+ 253.10353 156.0
[M]- 253.10463 156.0
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