CID 211748

23557-79-1

Structural Information

Molecular Formula
C14H13ClN2
SMILES
CC1=C(C=C(C=C1)N=C(C2=CC=CC=C2)N)Cl
InChI
InChI=1S/C14H13ClN2/c1-10-7-8-12(9-13(10)15)17-14(16)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17)
InChIKey
RRAAXVNDOQYYAW-UHFFFAOYSA-N
Compound name
N'-(3-chloro-4-methylphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08400 155.1
[M+Na]+ 267.06594 163.3
[M-H]- 243.06944 162.7
[M+NH4]+ 262.11054 173.2
[M+K]+ 283.03988 157.7
[M+H-H2O]+ 227.07398 148.1
[M+HCOO]- 289.07492 177.0
[M+CH3COO]- 303.09057 199.0
[M+Na-2H]- 265.05139 160.0
[M]+ 244.07617 155.3
[M]- 244.07727 155.3
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

No patent data available for this compound.