CID 39505

4-chloro-alpha-(methylimino)-o-cresol

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CN=CC1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C8H8ClNO/c1-10-5-6-4-7(9)2-3-8(6)11/h2-5,11H,1H3
InChIKey
SJMVDYATGBLKAT-UHFFFAOYSA-N
Compound name
4-chloro-2-(methyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.02943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 131.3
[M+Na]+ 192.018648 141.3
[M-H]- 168.022154 135.6
[M+NH4]+ 187.063253 153.0
[M+K]+ 207.992588 137.6
[M+H-H2O]+ 152.026690 126.9
[M+HCOO]- 214.027631 153.1
[M+CH3COO]- 228.043281 179.7
[M+Na-2H]- 190.004096 138.5
[M]+ 169.02888142 133.5
[M]- 169.02997858 133.5
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.