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

302
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.