CID 13621611

126007-98-5

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
COC1=C(C=C(C=C1)C(=N)N)Cl
InChI
InChI=1S/C8H9ClN2O/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H3,10,11)
InChIKey
FZVNMQOQWGTTRN-UHFFFAOYSA-N
Compound name
3-chloro-4-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

184.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.8
[M+Na]+ 207.02956 145.6
[M-H]- 183.03306 140.5
[M+NH4]+ 202.07416 157.0
[M+K]+ 223.00350 141.9
[M+H-H2O]+ 167.03760 132.0
[M+HCOO]- 229.03854 158.0
[M+CH3COO]- 243.05419 185.5
[M+Na-2H]- 205.01501 141.8
[M]+ 184.03979 136.7
[M]- 184.04089 136.7
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