CID 204144

M-chlorobenzamidine nitrate

Structural Information

Molecular Formula
C7H7ClN2
SMILES
C1=CC(=CC(=C1)Cl)C(=N)N
InChI
InChI=1S/C7H7ClN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey
LURAKWQBMZORLL-UHFFFAOYSA-N
Compound name
3-chlorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

247
Patents

154.02977 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037046 129.5
[M+Na]+ 177.018988 137.8
[M-H]- 153.022494 132.9
[M+NH4]+ 172.063593 150.6
[M+K]+ 192.992928 133.7
[M+H-H2O]+ 137.027030 124.8
[M+HCOO]- 199.027971 150.7
[M+CH3COO]- 213.043621 179.2
[M+Na-2H]- 175.004436 135.7
[M]+ 154.02922142 127.2
[M]- 154.03031858 127.2
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