CID 97892

66069-40-7

Structural Information

Molecular Formula
C16H9N5O11
SMILES
CC(C(=O)O)ON=C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C1C=C(C=C3[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H9N5O11/c1-6(16(22)23)32-17-15-9-2-7(18(24)25)4-11(20(28)29)13(9)14-10(15)3-8(19(26)27)5-12(14)21(30)31/h2-6H,1H3,(H,22,23)
InChIKey
MQTMHRXULFJFOC-UHFFFAOYSA-N
Compound name
2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

70
Patents

447.02985 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.03713 183.3
[M+Na]+ 470.01907 188.5
[M+NH4]+ 465.06367 192.2
[M+K]+ 485.99301 198.4
[M-H]- 446.02257 182.3
[M+Na-2H]- 468.00452 181.8
[M]+ 447.02930 186.2
[M]- 447.03040 186.2
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