CID 4059791

9441rg2pvb

Structural Information

Molecular Formula
C11H17O4P
SMILES
CCC(C)(C)C1=CC=C(C=C1)OP(=O)(O)O
InChI
InChI=1S/C11H17O4P/c1-4-11(2,3)9-5-7-10(8-6-9)15-16(12,13)14/h5-8H,4H2,1-3H3,(H2,12,13,14)
InChIKey
HNAHQHKURIZAPU-UHFFFAOYSA-N
Compound name
[4-(2-methylbutan-2-yl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

244.08644 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09372 157.6
[M+Na]+ 267.07566 164.5
[M-H]- 243.07916 157.6
[M+NH4]+ 262.12026 174.4
[M+K]+ 283.04960 162.7
[M+H-H2O]+ 227.08370 150.4
[M+HCOO]- 289.08464 181.4
[M+CH3COO]- 303.10029 188.5
[M+Na-2H]- 265.06111 161.2
[M]+ 244.08589 160.2
[M]- 244.08699 160.2
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