CID 6328684

Butafosfan

Structural Information

Molecular Formula
C7H17NO2P
SMILES
CCCCNC(C)(C)[P+](=O)O
InChI
InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1
InChIKey
YHLWPOLSPCBOPC-UHFFFAOYSA-O
Compound name
2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

179
Patents

178.09969 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10697 143.4
[M+Na]+ 201.08891 149.1
[M-H]- 177.09241 141.5
[M+NH4]+ 196.13351 163.0
[M+K]+ 217.06285 143.1
[M+H-H2O]+ 161.09695 139.6
[M+HCOO]- 223.09789 169.4
[M+CH3COO]- 237.11354 176.3
[M+Na-2H]- 199.07436 148.3
[M]+ 178.09914 143.7
[M]- 178.10024 143.7
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