CID 99747

P-chlorobenzaldehyde o-carbamoyloxime

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
C1=CC(=CC=C1C=NOC(=O)N)Cl
InChI
InChI=1S/C8H7ClN2O2/c9-7-3-1-6(2-4-7)5-11-13-8(10)12/h1-5H,(H2,10,12)
InChIKey
UPLPBZWVAZZKKU-UHFFFAOYSA-N
Compound name
[(4-chlorophenyl)methylideneamino] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0196 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 138.6
[M+Na]+ 221.00882 147.2
[M-H]- 197.01232 143.4
[M+NH4]+ 216.05342 158.7
[M+K]+ 236.98276 144.3
[M+H-H2O]+ 181.01686 133.1
[M+HCOO]- 243.01780 161.8
[M+CH3COO]- 257.03345 186.8
[M+Na-2H]- 218.99427 144.8
[M]+ 198.01905 140.6
[M]- 198.02015 140.6
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.