CID 87517

18228-17-6

Structural Information

Molecular Formula
C17H13ClNO5P
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O
InChI
InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)
InChIKey
RQAQWBFHPMSXKR-UHFFFAOYSA-N
Compound name
[3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

2968
Patents

377.02197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02925 180.4
[M+Na]+ 400.01119 188.0
[M-H]- 376.01469 184.7
[M+NH4]+ 395.05579 192.8
[M+K]+ 415.98513 183.2
[M+H-H2O]+ 360.01923 171.4
[M+HCOO]- 422.02017 200.7
[M+CH3COO]- 436.03582 212.9
[M+Na-2H]- 397.99664 183.5
[M]+ 377.02142 183.9
[M]- 377.02252 183.9
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