CID 6327445

Catecholborane

Structural Information

Molecular Formula
C6H4BO2
SMILES
[B]1OC2=CC=CC=C2O1
InChI
InChI=1S/C6H4BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4H
InChIKey
ZDQWVKDDJDIVAL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

7042
Patents

119.03043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.03771 115.6
[M+Na]+ 142.01965 124.6
[M-H]- 118.02315 121.6
[M+NH4]+ 137.06425 138.3
[M+K]+ 157.99359 125.8
[M+H-H2O]+ 102.02769 111.3
[M+HCOO]- 164.02863 138.9
[M+CH3COO]- 178.04428 131.5
[M+Na-2H]- 140.00510 126.8
[M]+ 119.02988 117.0
[M]- 119.03098 117.0
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