CID 135850198

3-chloro-4-hydroxybenzaldehyde 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]+ 172.01599 130.0
[M+Na]+ 193.99793 140.0
[M-H]- 170.00143 133.1
[M+NH4]+ 189.04253 150.8
[M+K]+ 209.97187 136.0
[M+H-H2O]+ 154.00597 125.9
[M+HCOO]- 216.00691 150.9
[M+CH3COO]- 230.02256 176.1
[M+Na-2H]- 191.98338 137.2
[M]+ 171.00816 131.4
[M]- 171.00926 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