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

7
Patents

168.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 134.0
[M+Na]+ 191.034648 142.9
[M-H]- 167.038154 137.7
[M+NH4]+ 186.079253 154.9
[M+K]+ 207.008588 138.6
[M+H-H2O]+ 151.042690 129.4
[M+HCOO]- 213.043631 154.9
[M+CH3COO]- 227.059281 183.4
[M+Na-2H]- 189.020096 139.0
[M]+ 168.04488142 132.5
[M]- 168.04597858 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