CID 22766270

Ns00063917

Structural Information

Molecular Formula
C8H7ClN4
SMILES
CC1=C(C=CC(=C1)Cl)N=NNC#N
InChI
InChI=1S/C8H7ClN4/c1-6-4-7(9)2-3-8(6)12-13-11-5-10/h2-4H,1H3,(H,11,12)
InChIKey
IERKKWHEKHQRTP-UHFFFAOYSA-N
Compound name
[(4-chloro-2-methylphenyl)diazenyl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.03592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 143.0
[M+Na]+ 217.025138 153.7
[M-H]- 193.028644 148.7
[M+NH4]+ 212.069743 161.7
[M+K]+ 232.999078 150.4
[M+H-H2O]+ 177.033180 130.5
[M+HCOO]- 239.034121 165.2
[M+CH3COO]- 253.049771 205.0
[M+Na-2H]- 215.010586 150.2
[M]+ 194.03537142 140.4
[M]- 194.03646858 140.4
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