CID 175686261

3-nonylphenyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C21H29O4P
SMILES
CCCCCCCCCC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C21H29O4P/c1-2-3-4-5-6-7-9-13-19-14-12-17-21(18-19)25-26(22,23)24-20-15-10-8-11-16-20/h8,10-12,14-18H,2-7,9,13H2,1H3,(H,22,23)
InChIKey
YHMAPBZMNDNXQB-UHFFFAOYSA-N
Compound name
(3-nonylphenyl) phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.18036 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18764 196.3
[M+Na]+ 399.16958 199.8
[M-H]- 375.17308 199.0
[M+NH4]+ 394.21418 207.6
[M+K]+ 415.14352 195.6
[M+H-H2O]+ 359.17762 185.0
[M+HCOO]- 421.17856 221.0
[M+CH3COO]- 435.19421 216.3
[M+Na-2H]- 397.15503 196.1
[M]+ 376.17981 201.7
[M]- 376.18091 201.7
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.