CID 42141

Ddcdm

Structural Information

Molecular Formula
C8H9ClN2
SMILES
CC1=C(C=CC(=C1)Cl)N=CN
InChI
InChI=1S/C8H9ClN2/c1-6-4-7(9)2-3-8(6)11-5-10/h2-5H,1H3,(H2,10,11)
InChIKey
HWQBXXMKFMTAOC-UHFFFAOYSA-N
Compound name
N'-(4-chloro-2-methylphenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 133.4
[M+Na]+ 191.034648 143.1
[M-H]- 167.038154 138.4
[M+NH4]+ 186.079253 155.2
[M+K]+ 207.008588 139.2
[M+H-H2O]+ 151.042690 128.5
[M+HCOO]- 213.043631 156.8
[M+CH3COO]- 227.059281 184.5
[M+Na-2H]- 189.020096 140.2
[M]+ 168.04488142 134.3
[M]- 168.04597858 134.3
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