CID 139595568

Mhpfso4 n=2

Structural Information

Molecular Formula
C4H6F4O4S
SMILES
C(C(F)F)C(COS(=O)(=O)O)(F)F
InChI
InChI=1S/C4H6F4O4S/c5-3(6)1-4(7,8)2-12-13(9,10)11/h3H,1-2H2,(H,9,10,11)
InChIKey
JHRQSXIEKLLCPZ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrafluorobutyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

225.9923 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99958 136.1
[M+Na]+ 248.98152 144.1
[M-H]- 224.98502 130.0
[M+NH4]+ 244.02612 153.5
[M+K]+ 264.95546 142.6
[M+H-H2O]+ 208.98956 128.4
[M+HCOO]- 270.99050 146.5
[M+CH3COO]- 285.00615 181.3
[M+Na-2H]- 246.96697 138.8
[M]+ 225.99175 134.4
[M]- 225.99285 134.4
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.