CID 5706781

Dtxsid60430541

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC1=CC=C(C=C1)/C(=N\O)/Cl
InChI
InChI=1S/C8H8ClNO2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3/b10-8+
InChIKey
RWYJLUIRTJBSDS-CSKARUKUSA-N
Compound name
(1E)-N-hydroxy-4-methoxybenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

185.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.7
[M+Na]+ 208.01357 143.5
[M-H]- 184.01707 138.7
[M+NH4]+ 203.05817 155.3
[M+K]+ 223.98751 140.6
[M+H-H2O]+ 168.02161 129.9
[M+HCOO]- 230.02255 155.8
[M+CH3COO]- 244.03820 181.4
[M+Na-2H]- 205.99902 141.4
[M]+ 185.02380 137.4
[M]- 185.02490 137.4
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