CID 3360024

1402672-54-1

Structural Information

Molecular Formula
C8H9ClN2
SMILES
CC1=C(C(=CC=C1)Cl)C(=N)N
InChI
InChI=1S/C8H9ClN2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKey
SJMMLRWNCYFBIC-UHFFFAOYSA-N
Compound name
2-chloro-6-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 134.0
[M+Na]+ 191.03465 142.9
[M-H]- 167.03815 137.7
[M+NH4]+ 186.07925 154.9
[M+K]+ 207.00859 138.6
[M+H-H2O]+ 151.04269 129.4
[M+HCOO]- 213.04363 154.9
[M+CH3COO]- 227.05928 183.4
[M+Na-2H]- 189.02010 139.0
[M]+ 168.04488 132.5
[M]- 168.04598 132.5
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