CID 22065535

(4-sulfanylbutyl)phosphonic acid

Structural Information

Molecular Formula
C4H11O3PS
SMILES
C(CCS)CP(=O)(O)O
InChI
InChI=1S/C4H11O3PS/c5-8(6,7)3-1-2-4-9/h9H,1-4H2,(H2,5,6,7)
InChIKey
YBWDPGQMQBYMJP-UHFFFAOYSA-N
Compound name
4-sulfanylbutylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

170.01665 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02393 135.1
[M+Na]+ 193.00587 142.1
[M-H]- 169.00937 131.7
[M+NH4]+ 188.05047 155.2
[M+K]+ 208.97981 140.3
[M+H-H2O]+ 153.01391 128.6
[M+HCOO]- 215.01485 155.9
[M+CH3COO]- 229.03050 172.0
[M+Na-2H]- 190.99132 135.9
[M]+ 170.01610 138.2
[M]- 170.01720 138.2
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.