CID 3047330

4-chloro-alpha(sup 2)-(methylimino)-2,6-xylenol

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC1=CC(=CC(=C1O)C=NC)Cl
InChI
InChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-5,12H,1-2H3
InChIKey
SUHCAAXMORNNCR-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6-(methyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 135.5
[M+Na]+ 206.03431 146.1
[M-H]- 182.03781 140.0
[M+NH4]+ 201.07891 157.0
[M+K]+ 222.00825 142.1
[M+H-H2O]+ 166.04235 131.2
[M+HCOO]- 228.04329 157.0
[M+CH3COO]- 242.05894 183.9
[M+Na-2H]- 204.01976 141.5
[M]+ 183.04454 138.5
[M]- 183.04564 138.5
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.