CID 39440

46123-83-5

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1=CC(=CC=C1CN=C(N)N)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKey
CYYQVFZVCJFKES-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

183.05632 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 138.7
[M+Na]+ 206.04554 146.3
[M-H]- 182.04904 142.8
[M+NH4]+ 201.09014 158.8
[M+K]+ 222.01948 142.5
[M+H-H2O]+ 166.05358 133.1
[M+HCOO]- 228.05452 161.5
[M+CH3COO]- 242.07017 188.6
[M+Na-2H]- 204.03099 144.0
[M]+ 183.05577 136.9
[M]- 183.05687 136.9
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