CID 44151906

Selenious acid, phenylmethyl ester

Structural Information

Molecular Formula
C7H8O3Se
SMILES
C1=CC=C(C=C1)CO[Se](=O)O
InChI
InChI=1S/C7H8O3Se/c8-11(9)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9)
InChIKey
CIRSPEUSOBVYGM-UHFFFAOYSA-N
Compound name
benzyl hydrogen selenite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.96387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97115 141.1
[M+Na]+ 242.95309 147.9
[M-H]- 218.95659 142.9
[M+NH4]+ 237.99769 160.6
[M+K]+ 258.92703 146.4
[M+H-H2O]+ 202.96113 134.9
[M+HCOO]- 264.96207 163.6
[M+CH3COO]- 278.97772 174.0
[M+Na-2H]- 240.93854 146.8
[M]+ 219.96332 141.7
[M]- 219.96442 141.7
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