CID 135850198

Benzaldehyde, 3-chloro-4-hydroxy-, oxime

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=C(C=C1/C=N\O)Cl)O
InChI
InChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-4,10-11H/b9-4-
InChIKey
XSPLRAHQLRUPNU-WTKPLQERSA-N
Compound name
2-chloro-4-[(Z)-hydroxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.00871 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 130.0
[M+Na]+ 193.997928 140.0
[M-H]- 170.001434 133.1
[M+NH4]+ 189.042533 150.8
[M+K]+ 209.971868 136.0
[M+H-H2O]+ 154.005970 125.9
[M+HCOO]- 216.006911 150.9
[M+CH3COO]- 230.022561 176.1
[M+Na-2H]- 191.983376 137.2
[M]+ 171.00816142 131.4
[M]- 171.00925858 131.4
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

patents stripe