CID 3011677

2-[(6-chloro-2-fluoro-purin-9-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C10H10ClFN4O3
SMILES
CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)F
InChI
InChI=1S/C10H10ClFN4O3/c1-6(17)19-3-2-18-5-16-4-13-7-8(11)14-10(12)15-9(7)16/h4H,2-3,5H2,1H3
InChIKey
QEFCMQPPIFZGKP-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-fluoropurin-9-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.04254 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04982 156.7
[M+Na]+ 311.03176 169.2
[M-H]- 287.03526 155.5
[M+NH4]+ 306.07636 171.1
[M+K]+ 327.00570 165.1
[M+H-H2O]+ 271.03980 147.4
[M+HCOO]- 333.04074 171.6
[M+CH3COO]- 347.05639 197.9
[M+Na-2H]- 309.01721 161.5
[M]+ 288.04199 164.6
[M]- 288.04309 164.6
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.