CID 136678

Dichlorophenylborane

Structural Information

Molecular Formula
C6H5BCl2
SMILES
B(C1=CC=CC=C1)(Cl)Cl
InChI
InChI=1S/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
NCQDQONETMHUMY-UHFFFAOYSA-N
Compound name
dichloro(phenyl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1051
Patents

157.98613 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99341 124.5
[M+Na]+ 180.97535 133.8
[M-H]- 156.97885 127.5
[M+NH4]+ 176.01995 146.6
[M+K]+ 196.94929 129.4
[M+H-H2O]+ 140.98339 121.1
[M+HCOO]- 202.98433 139.1
[M+CH3COO]- 216.99998 174.6
[M+Na-2H]- 178.96080 131.7
[M]+ 157.98558 126.0
[M]- 157.98668 126.0
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