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]+ 170.03671 131.3
[M+Na]+ 192.01865 141.3
[M-H]- 168.02215 135.6
[M+NH4]+ 187.06325 153.0
[M+K]+ 207.99259 137.6
[M+H-H2O]+ 152.02669 126.9
[M+HCOO]- 214.02763 153.1
[M+CH3COO]- 228.04328 179.7
[M+Na-2H]- 190.00410 138.5
[M]+ 169.02888 133.5
[M]- 169.02998 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.