CID 46173033

[(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid

Structural Information

Molecular Formula
C7H7Cl2O3PS
SMILES
C1=CC(=C(C=C1Cl)Cl)[C@H](P(=O)(O)O)S
InChI
InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)/t7-/m1/s1
InChIKey
WJVBVZOYOCLGPI-SSDOTTSWSA-N
Compound name
[(R)-(2,4-dichlorophenyl)-sulfanylmethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

271.92307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93035 144.4
[M+Na]+ 294.91229 154.2
[M-H]- 270.91579 145.4
[M+NH4]+ 289.95689 162.4
[M+K]+ 310.88623 148.8
[M+H-H2O]+ 254.92033 140.0
[M+HCOO]- 316.92127 155.9
[M+CH3COO]- 330.93692 188.1
[M+Na-2H]- 292.89774 144.3
[M]+ 271.92252 149.4
[M]- 271.92362 149.4
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