CID 71434435

8-methyl uc-8305

Structural Information

Molecular Formula
C9H16ClO2PS
SMILES
CC1CCCC2C1OP(=S)(OC2C)Cl
InChI
InChI=1S/C9H16ClO2PS/c1-6-4-3-5-8-7(2)11-13(10,14)12-9(6)8/h6-9H,3-5H2,1-2H3
InChIKey
HLEPWNZGXBXTPX-UHFFFAOYSA-N
Compound name
2-chloro-4,8-dimethyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02971 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03699 147.8
[M+Na]+ 277.01893 155.7
[M-H]- 253.02243 152.3
[M+NH4]+ 272.06353 167.8
[M+K]+ 292.99287 154.4
[M+H-H2O]+ 237.02697 142.1
[M+HCOO]- 299.02791 159.9
[M+CH3COO]- 313.04356 191.5
[M+Na-2H]- 275.00438 148.8
[M]+ 254.02916 149.4
[M]- 254.03026 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.