CID 44630075

(r)-(+)-nbd-pro-cocl

Structural Information

Molecular Formula
C11H9ClN4O4
SMILES
C1C[C@@H](N(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)Cl
InChI
InChI=1S/C11H9ClN4O4/c12-11(17)8-2-1-5-15(8)6-3-4-7(16(18)19)10-9(6)13-20-14-10/h3-4,8H,1-2,5H2/t8-/m1/s1
InChIKey
XBQYXPYABMCADZ-MRVPVSSYSA-N
Compound name
(2R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

296.03122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03850 162.1
[M+Na]+ 319.02044 170.6
[M-H]- 295.02394 167.2
[M+NH4]+ 314.06504 176.0
[M+K]+ 334.99438 164.1
[M+H-H2O]+ 279.02848 158.7
[M+HCOO]- 341.02942 178.1
[M+CH3COO]- 355.04507 192.2
[M+Na-2H]- 317.00589 167.1
[M]+ 296.03067 164.0
[M]- 296.03177 164.0
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