CID 6336705

T-butylphenyl phenyl phosphate

Structural Information

Molecular Formula
C16H19O4P
SMILES
CC(C)(C)C1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C16H19O4P/c1-16(2,3)14-11-7-8-12-15(14)20-21(17,18)19-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,17,18)
InChIKey
OAGSJMRKTNUIFI-UHFFFAOYSA-N
Compound name
(2-tert-butylphenyl) phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

172
Patents

306.10208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10936 173.2
[M+Na]+ 329.09130 179.5
[M-H]- 305.09480 177.4
[M+NH4]+ 324.13590 187.7
[M+K]+ 345.06524 177.1
[M+H-H2O]+ 289.09934 163.8
[M+HCOO]- 351.10028 198.1
[M+CH3COO]- 365.11593 201.2
[M+Na-2H]- 327.07675 177.0
[M]+ 306.10153 176.4
[M]- 306.10263 176.4
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

patents stripe