CID 14851

2-chloro-4-methylphenol

Structural Information

Molecular Formula
C7H7ClO
SMILES
CC1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
AQJFATAFTQCRGC-UHFFFAOYSA-N
Compound name
2-chloro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2376
Patents

142.01854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 122.8
[M+Na]+ 165.00776 133.4
[M-H]- 141.01126 126.0
[M+NH4]+ 160.05236 145.3
[M+K]+ 180.98170 129.7
[M+H-H2O]+ 125.01580 119.4
[M+HCOO]- 187.01674 142.3
[M+CH3COO]- 201.03239 170.8
[M+Na-2H]- 162.99321 130.0
[M]+ 142.01799 124.3
[M]- 142.01909 124.3
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.