CID 2731466

88812-65-1

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
CC1=CC(=NO1)N=CC2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C11H8Cl2N2O2/c1-6-2-10(15-17-6)14-5-7-3-8(12)4-9(13)11(7)16/h2-5,16H,1H3
InChIKey
XCUJGLTVYMOHQD-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

269.99628 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.003556 157.4
[M+Na]+ 292.985498 169.3
[M-H]- 268.989004 163.7
[M+NH4]+ 288.030103 174.5
[M+K]+ 308.959438 164.4
[M+H-H2O]+ 252.993540 151.3
[M+HCOO]- 314.994481 172.9
[M+CH3COO]- 329.010131 195.9
[M+Na-2H]- 290.970946 161.1
[M]+ 269.99573142 163.2
[M]- 269.99682858 163.2
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