CID 44150056

(m-aminophenyl)metaboric acid hcl

Structural Information

Molecular Formula
C6H6BNO2
SMILES
B(=O)OC1=CC=CC(=C1)N
InChI
InChI=1S/C6H6BNO2/c8-5-2-1-3-6(4-5)10-7-9/h1-4H,8H2
InChIKey
AEYWLNQZGXWIQX-UHFFFAOYSA-N
Compound name
3-oxoboranyloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05644 121.9
[M+Na]+ 158.03838 130.6
[M-H]- 134.04188 125.6
[M+NH4]+ 153.08298 143.4
[M+K]+ 174.01232 129.3
[M+H-H2O]+ 118.04642 116.4
[M+HCOO]- 180.04736 148.3
[M+CH3COO]- 194.06301 173.0
[M+Na-2H]- 156.02383 130.0
[M]+ 135.04861 121.8
[M]- 135.04971 121.8
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.