CID 53404314

2375270-26-9

Structural Information

Molecular Formula
C7H6FN3O2
SMILES
C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FN3O2/c8-5-2-1-4(7(9)10)3-6(5)11(12)13/h1-3H,(H3,9,10)
InChIKey
NSGTYBKXNFWHSA-UHFFFAOYSA-N
Compound name
4-fluoro-3-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0444 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05168 131.1
[M+Na]+ 206.03362 138.3
[M-H]- 182.03712 133.6
[M+NH4]+ 201.07822 149.3
[M+K]+ 222.00756 132.1
[M+H-H2O]+ 166.04166 128.8
[M+HCOO]- 228.04260 157.0
[M+CH3COO]- 242.05825 180.0
[M+Na-2H]- 204.01907 137.7
[M]+ 183.04385 124.9
[M]- 183.04495 124.9
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