CID 12535783

64633-88-1

Structural Information

Molecular Formula
C7H7N3O2
SMILES
C1=CC=C(C(=C1)C(=N)N)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O2/c8-7(9)5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9)
InChIKey
JBNVRLURWDLBOD-UHFFFAOYSA-N
Compound name
2-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

165.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 129.1
[M+Na]+ 188.04305 135.4
[M-H]- 164.04655 132.6
[M+NH4]+ 183.08765 147.8
[M+K]+ 204.01699 129.6
[M+H-H2O]+ 148.05109 127.6
[M+HCOO]- 210.05203 156.1
[M+CH3COO]- 224.06768 176.1
[M+Na-2H]- 186.02850 136.9
[M]+ 165.05328 123.7
[M]- 165.05438 123.7
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