CID 135497191

Acetamide, 2-chloro-n-(3-cyano-6,7-difluoro-1,4-dioxido-2-quinoxalinyl)-

Structural Information

Molecular Formula
C11H5ClF2N4O3
SMILES
C1=C2C(=CC(=C1F)F)[N+](=C(C(=[N+]2[O-])C#N)NC(=O)CCl)[O-]
InChI
InChI=1S/C11H5ClF2N4O3/c12-3-10(19)16-11-9(4-15)17(20)7-1-5(13)6(14)2-8(7)18(11)21/h1-2H,3H2,(H,16,19)
InChIKey
MQGRWRYMJXHGGL-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-6,7-difluoro-1,4-dioxidoquinoxaline-1,4-diium-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.00183 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.00911 167.1
[M+Na]+ 336.99105 177.9
[M-H]- 312.99455 163.5
[M+NH4]+ 332.03565 176.9
[M+K]+ 352.96499 163.5
[M+H-H2O]+ 296.99909 161.0
[M+HCOO]- 359.00003 176.6
[M+CH3COO]- 373.01568 200.2
[M+Na-2H]- 334.97650 172.6
[M]+ 314.00128 158.6
[M]- 314.00238 158.6
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.