CID 6328571

Lead, hydroxy(2-(hydroxy-kappao)benzoato-kappao)-

Structural Information

Molecular Formula
C7H6O4
SMILES
C1=CC=C(C(=C1)C(=O)O)OO
InChI
InChI=1S/C7H6O4/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H,(H,8,9)
InChIKey
ZHBYCCVSWKWSMR-UHFFFAOYSA-N
Compound name
2-hydroperoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

154.02661 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 126.6
[M+Na]+ 177.01583 134.8
[M-H]- 153.01933 128.1
[M+NH4]+ 172.06043 146.2
[M+K]+ 192.98977 133.5
[M+H-H2O]+ 137.02387 121.5
[M+HCOO]- 199.02481 148.9
[M+CH3COO]- 213.04046 169.4
[M+Na-2H]- 175.00128 133.0
[M]+ 154.02606 126.8
[M]- 154.02716 126.8
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