CID 12295938

O-chlorophenylcyanamide

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC=C(C(=C1)NC#N)Cl
InChI
InChI=1S/C7H5ClN2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,10H
InChIKey
PWZKESLISFPGHR-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

152.01413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 130.5
[M+Na]+ 175.00335 141.7
[M-H]- 151.00685 133.9
[M+NH4]+ 170.04795 150.2
[M+K]+ 190.97729 137.2
[M+H-H2O]+ 135.01139 119.4
[M+HCOO]- 197.01233 148.7
[M+CH3COO]- 211.02798 189.1
[M+Na-2H]- 172.98880 138.1
[M]+ 152.01358 126.1
[M]- 152.01468 126.1
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