CID 12145

Phenylcarbylamine chloride

Structural Information

Molecular Formula
C7H5Cl2N
SMILES
C1=CC=C(C=C1)N=C(Cl)Cl
InChI
InChI=1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
TTWWZVGVBRPHLE-UHFFFAOYSA-N
Compound name
1,1-dichloro-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

185
Patents

172.9799 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.98718 130.9
[M+Na]+ 195.96912 139.9
[M-H]- 171.97262 135.1
[M+NH4]+ 191.01372 152.6
[M+K]+ 211.94306 135.6
[M+H-H2O]+ 155.97716 126.7
[M+HCOO]- 217.97810 148.0
[M+CH3COO]- 231.99375 180.8
[M+Na-2H]- 193.95457 138.3
[M]+ 172.97935 132.8
[M]- 172.98045 132.8
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