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

0
Patents

197.07198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07926 143.7
[M+Na]+ 220.06120 151.1
[M-H]- 196.06470 149.7
[M+NH4]+ 215.10580 164.3
[M+K]+ 236.03514 148.8
[M+H-H2O]+ 180.06924 137.7
[M+HCOO]- 242.07018 167.4
[M+CH3COO]- 256.08583 195.0
[M+Na-2H]- 218.04665 148.8
[M]+ 197.07143 144.5
[M]- 197.07253 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