CID 52483

O-cresol, 6-chloro-4-nitroso-

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
CC1=CC(=CC(=C1O)Cl)N=O
InChI
InChI=1S/C7H6ClNO2/c1-4-2-5(9-11)3-6(8)7(4)10/h2-3,10H,1H3
InChIKey
PTUGLBVXDWBNSD-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

171.00871 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 128.7
[M+Na]+ 193.997928 140.0
[M-H]- 170.001434 133.6
[M+NH4]+ 189.042533 150.5
[M+K]+ 209.971868 137.0
[M+H-H2O]+ 154.005970 124.6
[M+HCOO]- 216.006911 151.1
[M+CH3COO]- 230.022561 180.5
[M+Na-2H]- 191.983376 135.8
[M]+ 171.00816142 132.5
[M]- 171.00925858 132.5
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

patents stripe