CID 52532

73806-60-7

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CN(C)C(=NC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C9H12ClN3/c1-13(2)9(11)12-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H2,11,12)
InChIKey
MGVSISZJBDDWFK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.07198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 143.7
[M+Na]+ 220.061198 151.1
[M-H]- 196.064704 149.7
[M+NH4]+ 215.105803 164.3
[M+K]+ 236.035138 148.8
[M+H-H2O]+ 180.069240 137.7
[M+HCOO]- 242.070181 167.4
[M+CH3COO]- 256.085831 195.0
[M+Na-2H]- 218.046646 148.8
[M]+ 197.07143142 144.5
[M]- 197.07252858 144.5
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