CID 17682

Butyl diphenyl phosphate

Structural Information

Molecular Formula
C16H19O4P
SMILES
CCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKey
DIBUFQMCUZYQKN-UHFFFAOYSA-N
Compound name
butyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

984
Patents

306.10208 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10936 172.6
[M+Na]+ 329.09130 177.9
[M-H]- 305.09480 177.4
[M+NH4]+ 324.13590 187.3
[M+K]+ 345.06524 175.7
[M+H-H2O]+ 289.09934 162.0
[M+HCOO]- 351.10028 200.7
[M+CH3COO]- 365.11593 202.8
[M+Na-2H]- 327.07675 176.2
[M]+ 306.10153 177.9
[M]- 306.10263 177.9
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