CID 20822574

4-ethylphenyl hydrogen sulfate

Structural Information

Molecular Formula
C8H10O4S
SMILES
CCC1=CC=C(C=C1)OS(=O)(=O)O
InChI
InChI=1S/C8H10O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChIKey
DWZGLEPNCRFCEP-UHFFFAOYSA-N
Compound name
(4-ethylphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

493
Patents

202.02998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03726 138.9
[M+Na]+ 225.01920 147.9
[M-H]- 201.02270 141.9
[M+NH4]+ 220.06380 158.0
[M+K]+ 240.99314 145.5
[M+H-H2O]+ 185.02724 133.7
[M+HCOO]- 247.02818 156.7
[M+CH3COO]- 261.04383 177.5
[M+Na-2H]- 223.00465 144.1
[M]+ 202.02943 143.0
[M]- 202.03053 143.0
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